Hi
I am trying to vasp in parallel on two nodes using mpif90 compiler. but it shows the following error.
./preprocess <fft3dlib.F | /usr/bin/cpp -P -C -traditional >fft3dlib.f90 -DMPI -DHOST=\"LinuxIFC\" -DIFC -Dkind8 -DNGZhalf -DCACHE_SIZE=16000 -DPGF90 -Davoidalloc -DMPI_BLOCK=8000 -DRPROMU_DGEMV -DRACCMU_DGEMV
/usr/bin/mpif90 -FR -lowercase -O1 -tpp7 -xW -unroll0 -w95 -vec_report3 -c fft3dlib.f90
gfortran: unrecognized option '-tpp7'
gfortran: unrecognized option '-w95'
gfortran: unrecognized option '-vec_report3'
gfortran: language W not recognized
gfortran: language W not recognized
gfortran: fft3dlib.f90: linker input file unused because linking not done
rm -f vasp.intel.band
/usr/bin/mpif90 -o vasp.intel.band main.o base.o mpi.o smart_allocate.o xml.o constant.o jacobi.o main_mpi.o scala.o asa.o lattice.o poscar.o ini.o setex.o radial.o pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o dfast.o choleski2.o mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o tet.o hamil.o steep.o chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o ebs.o wavpre.o wavpre_noio.o broyden.o dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o brent.o stufak.o fileio.o opergrid.o stepver.o dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o edtest.o electron.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o setlocalpp.o aedens.o fftmpiw.o fftmpi_map.o fft3dlib.o /usr/local/lib/libfftw3.a -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_double.o /opt/intel/mkl/10.2.6.038/lib/em64t/libmkl_scalapack_lp64.a /opt/intel/mkl/10.2.6.038/lib/em64t/libmkl_blacs_intelmpi_lp64.a /home/pooja/VASP/GotoBLAS/libgoto_katmai-r1.15.so
fft3dlib.o: In function `ftrigc_.':
fft3dlib.f90:(.text+0x3d14): undefined reference to `__libm_sse2_sincos'
fft3dlib.o: In function `ftrigr_.':
fft3dlib.f90:(.text+0x3d8d): undefined reference to `__libm_sse2_sincos'
fft3dlib.f90:(.text+0x3df4): undefined reference to `__libm_sse2_sincos'
fft3dlib.o: In function `fpassm_.':
fft3dlib.f90:(.text+0x4afe): undefined reference to `for_write_seq_lis'
fft3dlib.f90:(.text+0x4b14): undefined reference to `for_stop_core'
fft3dlib.o: In function `ipassm_.':
fft3dlib.f90:(.text+0x8bcf): undefined reference to `for_write_seq_lis'
fft3dlib.f90:(.text+0x8be5): undefined reference to `for_stop_core'
../vasp.4.lib/libdmy.a(diolib.o): In function `wforce_':
diolib.f:(.text+0x84): undefined reference to `for_inquire'
diolib.f:(.text+0xea): undefined reference to `for_inquire'
diolib.f:(.text+0x189): undefined reference to `for_inquire'
diolib.f:(.text+0x1f1): undefined reference to `for_inquire'
diolib.f:(.text+0x251): undefined reference to `for_cpstr'
diolib.f:(.text+0x29b): undefined reference to `for_inquire'
diolib.f:(.text+0x2d6): undefined reference to `for_close'
diolib.f:(.text+0x320): undefined reference to `for_cpstr'
diolib.f:(.text+0x3b6): undefined reference to `for_open'
diolib.f:(.text+0x454): undefined reference to `for_open'
diolib.f:(.text+0x496): undefined reference to `for_cpstr'
diolib.f:(.text+0x4f5): undefined reference to `for_open'
diolib.f:(.text+0x560): undefined reference to `for_open'
../vasp.4.lib/libdmy.a(diolib.o): In function `reopen_':
diolib.f:(.text+0x5d4): undefined reference to `for_rewind'
diolib.f:(.text+0x656): undefined reference to `for_inquire'
diolib.f:(.text+0x6bc): undefined reference to `for_inquire'
diolib.f:(.text+0x75b): undefined reference to `for_inquire'
diolib.f:(.text+0x7c3): undefined reference to `for_inquire'
diolib.f:(.text+0x823): undefined reference to `for_cpstr'
diolib.f:(.text+0x86d): undefined reference to `for_inquire'
diolib.f:(.text+0x8a8): undefined reference to `for_close'
diolib.f:(.text+0x8f2): undefined reference to `for_cpstr'
diolib.f:(.text+0x988): undefined reference to `for_open'
diolib.f:(.text+0xa0f): undefined reference to `for_open'
diolib.f:(.text+0xa51): undefined reference to `for_cpstr'
diolib.f:(.text+0xab0): undefined reference to `for_open'
diolib.f:(.text+0xb07): undefined reference to `for_open'
../vasp.4.lib/libdmy.a(diolib.o): In function `clean_':
diolib.f:(.text+0xb5d): undefined reference to `for_inquire'
diolib.f:(.text+0xbb4): undefined reference to `for_cpstr'
diolib.f:(.text+0xc26): undefined reference to `for_rewind'
diolib.f:(.text+0xca8): undefined reference to `for_inquire'
diolib.f:(.text+0xd0e): undefined reference to `for_inquire'
diolib.f:(.text+0xdad): undefined reference to `for_inquire'
diolib.f:(.text+0xe15): undefined reference to `for_inquire'
diolib.f:(.text+0xe6c): undefined reference to `for_cpstr'
diolib.f:(.text+0xeb6): undefined reference to `for_inquire'
diolib.f:(.text+0xf04): undefined reference to `for_close'
diolib.f:(.text+0xf4e): undefined reference to `for_cpstr'
diolib.f:(.text+0xfe4): undefined reference to `for_open'
diolib.f:(.text+0x106e): undefined reference to `for_open'
diolib.f:(.text+0x10b0): undefined reference to `for_cpstr'
diolib.f:(.text+0x1118): undefined reference to `for_open'
diolib.f:(.text+0x116f): undefined reference to `for_open'
../vasp.4.lib/libdmy.a(diolib.o): In function `append_':
diolib.f:(.text+0x11e6): undefined reference to `for_inquire'
diolib.f:(.text+0x1247): undefined reference to `for_read_seq_fmt'
diolib.f:(.text+0x1290): undefined reference to `for_backspace'
../vasp.4.lib/libdmy.a(diolib.o): In function `erase_':
diolib.f:(.text+0x1310): undefined reference to `for_open'
diolib.f:(.text+0x136c): undefined reference to `for_close'
../vasp.4.lib/libdmy.a(diolib.o): In function `nxtfru_':
diolib.f:(.text+0x1404): undefined reference to `for_inquire'
../vasp.4.lib/libdmy.a(diolib.o): In function `rdline_':
diolib.f:(.text+0x1466): undefined reference to `for_cpystr'
diolib.f:(.text+0x14f0): undefined reference to `for_open'
diolib.f:(.text+0x1573): undefined reference to `for_read_seq_fmt'
diolib.f:(.text+0x15f6): undefined reference to `for_read_seq_fmt'
diolib.f:(.text+0x1647): undefined reference to `for_close'
../vasp.4.lib/libdmy.a(diolib.o): In function `rdpos_':
diolib.f:(.text+0x16bc): undefined reference to `for_inquire'
diolib.f:(.text+0x171d): undefined reference to `for_open'
diolib.f:(.text+0x1762): undefined reference to `for_rewind'
diolib.f:(.text+0x17a5): undefined reference to `for_cpystr'
diolib.f:(.text+0x182c): undefined reference to `for_read_seq_fmt'
diolib.f:(.text+0x18bf): undefined reference to `for_f90_index'
diolib.f:(.text+0x1910): undefined reference to `for_close'
diolib.f:(.text+0x195f): undefined reference to `for_close'
../vasp.4.lib/libdmy.a(dlexlib.o): In function `length_':
dlexlib.f:(.text+0x8b): undefined reference to `for_cpstr'
dlexlib.f:(.text+0x10e): undefined reference to `for_cpstr'
dlexlib.f:(.text+0x1ac): undefined reference to `for_cpstr'
dlexlib.f:(.text+0x24a): undefined reference to `for_cpstr'
dlexlib.f:(.text+0x2d3): undefined reference to `for_cpstr'
../vasp.4.lib/libdmy.a(dlexlib.o):dlexlib.f:(.text+0x353): more undefined references to `for_cpstr' follow
../vasp.4.lib/libdmy.a(dlexlib.o): In function `nitems_':
dlexlib.f:(.text+0xb48): undefined reference to `for_concat'
dlexlib.f:(.text+0xbd6): undefined reference to `for_read_int_fmt'
dlexlib.f:(.text+0xc44): undefined reference to `for_cpystr'
dlexlib.f:(.text+0xd12): undefined reference to `for_cpystr'
dlexlib.f:(.text+0xdd8): undefined reference to `for_concat'
dlexlib.f:(.text+0xe66): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0xefe): undefined reference to `for_concat'
dlexlib.f:(.text+0xf5e): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x10cb): undefined reference to `for_concat'
dlexlib.f:(.text+0x114e): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x11e6): undefined reference to `for_concat'
dlexlib.f:(.text+0x1246): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x12bd): undefined reference to `for_cpystr'
../vasp.4.lib/libdmy.a(dlexlib.o): In function `subwrd_':
dlexlib.f:(.text+0x1469): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x14e4): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x1573): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x15d3): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x1605): undefined reference to `for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x1636): undefined reference to `for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x165f): undefined reference to `for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x1690): undefined reference to `for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x16eb): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x1746): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x1785): undefined reference to `for_cpystr'
../vasp.4.lib/libdmy.a(dlexlib.o): In function `strip_':
dlexlib.f:(.text+0x18c9): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x194a): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x1b15): undefined reference to `for_concat'
dlexlib.f:(.text+0x1b87): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x1bff): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x1d2b): undefined reference to `for_cpstr'
dlexlib.f:(.text+0x1e26): undefined reference to `for_concat'
dlexlib.f:(.text+0x1e8f): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x1f07): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x1fce): undefined reference to `for_cpystr'
../vasp.4.lib/libdmy.a(dlexlib.o): In function `parse_':
dlexlib.f:(.text+0x2176): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x21b3): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x2264): undefined reference to `for_f90_index'
dlexlib.f:(.text+0x22ed): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x236b): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x23ca): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x2448): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x24a7): undefined reference to `for_cpystr'
../vasp.4.lib/libdmy.a(dlexlib.o):dlexlib.f:(.text+0x24e4): more undefined references to `for_cpystr' follow
../vasp.4.lib/libdmy.a(dlexlib.o): In function `noccur_':
dlexlib.f:(.text+0x2674): undefined reference to `for_f90_index'
../vasp.4.lib/libdmy.a(dlexlib.o): In function `indexn_':
dlexlib.f:(.text+0x2777): undefined reference to `for_f90_index'
../vasp.4.lib/libdmy.a(dlexlib.o): In function `replac_':
dlexlib.f:(.text+0x2ba9): undefined reference to `for_concat'
dlexlib.f:(.text+0x2caa): undefined reference to `for_concat'
dlexlib.f:(.text+0x2d88): undefined reference to `for_concat'
dlexlib.f:(.text+0x2e23): undefined reference to `for_open'
dlexlib.f:(.text+0x2ea9): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x2ef5): undefined reference to `for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x2f5d): undefined reference to `for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x3041): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x30bc): undefined reference to `for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x314e): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x31a0): undefined reference to `for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x31d5): undefined reference to `for_rewind'
dlexlib.f:(.text+0x3236): undefined reference to `for_read_seq_fmt'
dlexlib.f:(.text+0x3275): undefined reference to `for_close'
dlexlib.f:(.text+0x32fd): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x33a1): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x344d): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x34b9): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x34ea): undefined reference to `for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x3524): undefined reference to `for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x3553): undefined reference to `for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x358d): undefined reference to `for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x35f1): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x3655): undefined reference to `for_write_seq_fmt'
dlexlib.f:(.text+0x375a): undefined reference to `for_concat'
dlexlib.f:(.text+0x37de): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x3869): undefined reference to `for_cpystr'
../vasp.4.lib/libdmy.a(dlexlib.o): In function `chktyp_':
dlexlib.f:(.text+0x3907): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x3959): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x3dce): undefined reference to `for_concat'
dlexlib.f:(.text+0x3e47): undefined reference to `for_cpstr'
dlexlib.f:(.text+0x3e82): undefined reference to `for_cpstr'
dlexlib.f:(.text+0x3f56): undefined reference to `for_write_int_fmt'
dlexlib.f:(.text+0x3f7f): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x5abd): undefined reference to `for_write_int_fmt'
dlexlib.f:(.text+0x5ae6): undefined reference to `for_write_int_fmt_xmit'
../vasp.4.lib/libdmy.a(dlexlib.o): In function `dattyp_':
dlexlib.f:(.text+0x5e68): undefined reference to `for_write_int_fmt'
dlexlib.f:(.text+0x5ea9): undefined reference to `for_write_int_fmt_xmit'
../vasp.4.lib/libdmy.a(dlexlib.o): In function `chkint_':
dlexlib.f:(.text+0x5f2c): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x5f7a): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x6327): undefined reference to `for_write_int_fmt'
dlexlib.f:(.text+0x6350): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x6381): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x6402): undefined reference to `for_concat'
dlexlib.f:(.text+0x6497): undefined reference to `for_read_int_fmt'
dlexlib.f:(.text+0x6548): undefined reference to `for_write_int_fmt'
dlexlib.f:(.text+0x6571): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x6688): undefined reference to `for_concat'
dlexlib.f:(.text+0x6726): undefined reference to `for_read_int_fmt'
dlexlib.f:(.text+0x67e9): undefined reference to `for_cpstr'
dlexlib.f:(.text+0x68af): undefined reference to `for_write_int_fmt'
dlexlib.f:(.text+0x68df): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x6919): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x6960): undefined reference to `f_lanint_val'
dlexlib.f:(.text+0x6a0c): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x6c6f): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x6d05): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x6dd2): undefined reference to `for_read_int_fmt'
dlexlib.f:(.text+0x6ea3): undefined reference to `for_cpstr'
dlexlib.f:(.text+0x6fdf): undefined reference to `for_write_int_fmt'
dlexlib.f:(.text+0x700e): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x7048): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x707a): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x70b4): undefined reference to `for_write_int_fmt_xmit'
../vasp.4.lib/libdmy.a(dlexlib.o): In function `chkflt_':
dlexlib.f:(.text+0x7157): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x71a5): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x7440): undefined reference to `for_write_int_fmt'
dlexlib.f:(.text+0x7469): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x749a): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x74c4): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x7729): undefined reference to `for_write_int_fmt'
dlexlib.f:(.text+0x7752): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x7783): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x77b1): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x789f): undefined reference to `for_write_int_fmt'
dlexlib.f:(.text+0x78c8): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x78f9): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x7923): undefined reference to `for_write_int_fmt_xmit'
../vasp.4.lib/libdmy.a(dlexlib.o): In function `chkedq_':
dlexlib.f:(.text+0x7b7b): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x7c38): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x7f23): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x7fc3): undefined reference to `for_cpystr'
dlexlib.f:(.text+0x8775): undefined reference to `for_f90_index'
dlexlib.f:(.text+0x87e8): undefined reference to `for_write_int_fmt'
dlexlib.f:(.text+0x8811): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x8842): undefined reference to `for_write_int_fmt_xmit'
dlexlib.f:(.text+0x886b): undefined reference to `for_write_int_fmt_xmit'
../vasp.4.lib/libdmy.a(drdatab.o): In function `rdatab_':
drdatab.f:(.text+0x119): undefined reference to `for_cpystr'
drdatab.f:(.text+0x1d6): undefined reference to `for_open'
drdatab.f:(.text+0x222): undefined reference to `for_rewind'
drdatab.f:(.text+0x27b): undefined reference to `for_close'
drdatab.f:(.text+0x2d4): undefined reference to `for_cpystr'
drdatab.f:(.text+0x37b): undefined reference to `for_read_seq_fmt'
drdatab.f:(.text+0x427): undefined reference to `for_concat'
drdatab.f:(.text+0x541): undefined reference to `for_cpystr'
drdatab.f:(.text+0x5c6): undefined reference to `for_cpystr'
drdatab.f:(.text+0x693): undefined reference to `for_cpstr'
drdatab.f:(.text+0x71c): undefined reference to `for_cpystr'
drdatab.f:(.text+0x79f): undefined reference to `for_cpystr'
drdatab.f:(.text+0x7d7): undefined reference to `for_cpystr'
drdatab.f:(.text+0x836): undefined reference to `for_cpystr'
drdatab.f:(.text+0x8b0): undefined reference to `for_cpystr'
drdatab.f:(.text+0x979): undefined reference to `for_cpstr'
drdatab.f:(.text+0xa19): undefined reference to `for_cpystr'
drdatab.f:(.text+0xabc): undefined reference to `for_cpystr'
drdatab.f:(.text+0xafe): undefined reference to `for_cpystr'
drdatab.f:(.text+0xb79): undefined reference to `for_cpystr'
drdatab.f:(.text+0xc5c): undefined reference to `for_f90_index'
drdatab.f:(.text+0xd15): undefined reference to `for_cpstr'
drdatab.f:(.text+0xedf): undefined reference to `for_concat'
drdatab.f:(.text+0xf8d): undefined reference to `for_concat'
drdatab.f:(.text+0x103b): undefined reference to `for_concat'
drdatab.f:(.text+0x11b0): undefined reference to `for_cpystr'
drdatab.f:(.text+0x12d3): undefined reference to `for_read_int_lis'
drdatab.f:(.text+0x1354): undefined reference to `for_read_int_lis_xmit'
drdatab.f:(.text+0x13c4): undefined reference to `for_read_int_lis_xmit'
drdatab.f:(.text+0x1406): undefined reference to `for_read_int_lis_xmit'
drdatab.f:(.text+0x14a9): undefined reference to `for_read_int_lis'
drdatab.f:(.text+0x152a): undefined reference to `for_read_int_lis_xmit'
drdatab.f:(.text+0x159a): undefined reference to `for_read_int_lis_xmit'
drdatab.f:(.text+0x15dc): undefined reference to `for_read_int_lis_xmit'
drdatab.f:(.text+0x167f): undefined reference to `for_read_int_lis'
drdatab.f:(.text+0x1703): undefined reference to `for_read_int_lis_xmit'
drdatab.f:(.text+0x1776): undefined reference to `for_read_int_lis_xmit'
drdatab.f:(.text+0x17b8): undefined reference to `for_read_int_lis_xmit'
drdatab.f:(.text+0x185b): undefined reference to `for_read_int_lis'
drdatab.f:(.text+0x18dc): undefined reference to `for_read_int_lis_xmit'
drdatab.f:(.text+0x194c): undefined reference to `for_read_int_lis_xmit'
drdatab.f:(.text+0x198e): undefined reference to `for_read_int_lis_xmit'
drdatab.f:(.text+0x1a58): undefined reference to `for_open'
drdatab.f:(.text+0x1ade): undefined reference to `for_write_seq_fmt'
drdatab.f:(.text+0x1b16): undefined reference to `for_rewind'
drdatab.f:(.text+0x1b73): undefined reference to `for_read_seq_lis'
drdatab.f:(.text+0x1bf4): undefined reference to `for_read_seq_lis_xmit'
drdatab.f:(.text+0x1c64): undefined reference to `for_read_seq_lis_xmit'
drdatab.f:(.text+0x1ca6): undefined reference to `for_read_seq_lis_xmit'
drdatab.f:(.text+0x1d37): undefined reference to `for_read_seq_lis'
drdatab.f:(.text+0x1db8): undefined reference to `for_read_seq_lis_xmit'
drdatab.f:(.text+0x1e28): undefined reference to `for_read_seq_lis_xmit'
drdatab.f:(.text+0x1e6a): undefined reference to `for_read_seq_lis_xmit'
drdatab.f:(.text+0x1efb): undefined reference to `for_read_seq_lis'
drdatab.f:(.text+0x1f7f): undefined reference to `for_read_seq_lis_xmit'
drdatab.f:(.text+0x1ff2): undefined reference to `for_read_seq_lis_xmit'
drdatab.f:(.text+0x2034): undefined reference to `for_read_seq_lis_xmit'
drdatab.f:(.text+0x20c5): undefined reference to `for_read_seq_lis'
drdatab.f:(.text+0x2146): undefined reference to `for_read_seq_lis_xmit'
drdatab.f:(.text+0x21b6): undefined reference to `for_read_seq_lis_xmit'
drdatab.f:(.text+0x21f8): undefined reference to `for_read_seq_lis_xmit'
drdatab.f:(.text+0x2261): undefined reference to `for_close'
drdatab.f:(.text+0x22e3): undefined reference to `for_close'
drdatab.f:(.text+0x233f): undefined reference to `for_close'
../vasp.4.lib/lapack_double.o: In function `xerbla_':
lapack_double.f:(.text+0x50): undefined reference to `for_write_seq_fmt'
lapack_double.f:(.text+0x78): undefined reference to `for_write_seq_fmt_xmit'
lapack_double.f:(.text+0xa8): undefined reference to `for_stop_core'
../vasp.4.lib/lapack_double.o: In function `dlartg_':
lapack_double.f:(.text+0x12c81): undefined reference to `__powr8i4'
../vasp.4.lib/lapack_double.o: In function `dormql_':
lapack_double.f:(.text+0x224fa): undefined reference to `for_concat'
lapack_double.f:(.text+0x226e8): undefined reference to `for_concat'
../vasp.4.lib/lapack_double.o: In function `dormqr_':
lapack_double.f:(.text+0x22d40): undefined reference to `for_concat'
lapack_double.f:(.text+0x22f2e): undefined reference to `for_concat'
../vasp.4.lib/lapack_double.o: In function `zunmql_':
lapack_double.f:(.text+0x2ae8a): undefined reference to `for_concat'
../vasp.4.lib/lapack_double.o:lapack_double.f:(.text+0x2b0c1): more undefined references to `for_concat' follow
../vasp.4.lib/lapack_double.o: In function `dggbal_':
lapack_double.f:(.text+0x36270): undefined reference to `__powr8i4'
lapack_double.f:(.text+0x364c3): undefined reference to `__powr8i4'
../vasp.4.lib/lapack_double.o: In function `zunmtr_':
lapack_double.f:(.text+0x44fd6): undefined reference to `for_concat'
lapack_double.f:(.text+0x450dc): undefined reference to `for_concat'
lapack_double.f:(.text+0x451ed): undefined reference to `for_concat'
lapack_double.f:(.text+0x452f3): undefined reference to `for_concat'
../vasp.4.lib/lapack_double.o: In function `ztrtri_':
lapack_double.f:(.text+0x4633c): undefined reference to `for_concat'
../vasp.4.lib/lapack_double.o:lapack_double.f:(.text+0x48aad): more undefined references to `for_concat' follow
../vasp.4.lib/lapack_double.o: In function `dlamch_':
lapack_double.f:(.text+0x4fa7c): undefined reference to `__powr8i4'
lapack_double.f:(.text+0x4fac8): undefined reference to `__powr8i4'
../vasp.4.lib/lapack_double.o: In function `dlamc2_':
lapack_double.f:(.text+0x50484): undefined reference to `__powr8i4'
lapack_double.f:(.text+0x50653): undefined reference to `__powr8i4'
lapack_double.f:(.text+0x50c07): undefined reference to `for_write_seq_fmt'
../vasp.4.lib/lapack_double.o: In function `ilaenv_':
lapack_double.f:(.text+0x514a7): undefined reference to `for_cpystr'
lapack_double.f:(.text+0x5191d): undefined reference to `for_cpstr'
lapack_double.f:(.text+0x51962): undefined reference to `for_cpstr'
lapack_double.f:(.text+0x519c2): undefined reference to `for_cpstr'
lapack_double.f:(.text+0x51a02): undefined reference to `for_cpstr'
lapack_double.f:(.text+0x51a42): undefined reference to `for_cpstr'
../vasp.4.lib/lapack_double.o:lapack_double.f:(.text+0x51a82): more undefined references to `for_cpstr' follow
collect2: ld returned 1 exit status
make: *** [vasp] Error 1
My Makefile is as follows-.............
# all CPP processed fortran files have the extension .f90
SUFFIX=.f90
#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
#FC=ifort
# fortran linker
FCL=$(FC)
#-----------------------------------------------------------------------
# whereis CPP ?? (I need CPP, can't use gcc with proper options)
# that's the location of gcc for SUSE 5.3
#
# CPP_ = /usr/lib/gcc-lib/i486-linux/2.7.2/cpp -P -C
#
# that's probably the right line for some Red Hat distribution:
#
# CPP_ = /usr/lib/gcc-lib/i386-redhat-linux/2.7.2.3/cpp -P -C
#
# SUSE X.X, maybe some Red Hat distributions:
CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)
#-----------------------------------------------------------------------
# possible options for CPP:
# NGXhalf charge density reduced in X direction
# wNGXhalf gamma point only reduced in X direction
# avoidalloc avoid ALLOCATE if possible
# IFC work around some IFC bugs
# CACHE_SIZE 1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4
# RPROMU_DGEMV use DGEMV instead of DGEMM in RPRO (depends on used BLAS)
# RACCMU_DGEMV use DGEMV instead of DGEMM in RACC (depends on used BLAS)
#-----------------------------------------------------------------------
#CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
# -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc \
# -DRPROMU_DGEMV -DRACCMU_DGEMV
#-----------------------------------------------------------------------
# general fortran flags (there must a trailing blank on this line)
#-----------------------------------------------------------------------
#FFLAGS= -FR -lower_case
FFLAGS = -FR -lowercase
#-----------------------------------------------------------------------
# optimization
# we have tested whether higher optimisation improves performance
# -axK SSE1 optimization, but also generate code executable on all mach.
# xK improves performance somewhat on XP, and a is required in order
# to run the code on older Athlons as well
# -xW SSE2 optimization
# -axW SSE2 optimization, but also generate code executable on all mach.
# -tpp6 P3 optimization
# -tpp7 P4 optimization
#-----------------------------------------------------------------------
OFLAG=-O3
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =
OBJ_NOOPT =
DEBUG = -FR -O0
INLINE = $(OFLAG)
#-----------------------------------------------------------------------
# the following lines specify the position of BLAS and LAPACK
# on P4, VASP works fastest with the libgoto library
# so that's what I recommend
#-----------------------------------------------------------------------
# Atlas based libraries
#ATLASHOME= $(HOME)/archives/BLAS_OPT/ATLAS/lib/Linux_P4SSE2/
#BLAS= -L$(ATLASHOME) -lf77blas -latlas
# use specific libraries (default library path might point to other libraries)
BLAS= $(ATLASHOME)/libf77blas.a $(ATLASHOME)/libatlas.a
# use the mkl Intel libraries for p4 (www.intel.com)
# mkl.5.1
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lpthread
# mkl.5.2 requires also to -lguide library
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lguide -lpthread
BLAS= /opt/intel/mkl/10.2.6.038/lib/32 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread
#BLAS=/opt/GotoBLAS2/libgoto2_prescottp-r1.02.so
# even faster Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
BLAS= /home/pooja/VASP/GotoBLAS/libgoto_katmai-r1.15.so
# LAPACK, simplest use vasp.4.lib/lapack_double
LAPACK= ../vasp.4.lib/lapack_double.o
#LAPACK=-L/opt/intel/mkl/10.2.6.038/lib/32 -lmkl_lapack
# use atlas optimized part of lapack
#LAPACK= ../vasp.4.lib/lapack_atlas.o -llapack -lcblas
# use the mkl Intel lapack
#LAPACK= -lmkl_lapack
#-----------------------------------------------------------------------
#LIB = -L../vasp.4.lib -ldmy \
# ../vasp.4.lib/linpack_double.o $(LAPACK) \
# $(BLAS)
# options for linking (for compiler version 6.X, 7.1) nothing is required
LINK =
# compiler version 7.0 generates some vector statments which are located
# in the svml library, add the LIBPATH and the library (just in case)
#LINK = /opt/intel/Compiler/11.1/073/lib/ia32/libsvml.a
#-----------------------------------------------------------------------
# fft libraries:
# VASP.4.6 can use fftw.3.0.X (http://www.fftw.org)
# since this version is faster on P4 machines, we recommend to use it
#-----------------------------------------------------------------------
#FT3D =fft3dfurth.o fft3dlib.o /opt/intel/mkl/10.2.6.038/lib/32/libmkl_intel_\
#thread.a
#FFT3D = fftw3d.o fft3dlib.o /opt/libs/fftw-3.0.1/lib/libfftw3.a
#FFT3D = fftw3d.o fft3dlib.o /opt/libs/fftw-3.0.1/lib/libfftw3.a
#FFT3D= fftmpiw.o fftmpi_map.o fft3dlib.o /opt/intel/Compiler/11.0/069/mkl/lib/em64t/libfftw3xf_intel.a
#FT3D= fftmpiw.o fftmpi_map.o fft3dlib.o /usr/local/lib/libfftw3.a
#=======================================================================
# MPI section, uncomment the following lines
#
# one comment for users of mpich or lam:
# You must *not* compile mpi with g77/f77, because f77/g77
# appends *two* underscores to symbols that contain already an
# underscore (i.e. MPI_SEND becomes mpi_send__). The pgf90/ifc
# compilers however append only one underscore.
# Precompiled mpi version will also not work !!!
#
# We found that mpich.1.2.1 and lam-6.5.X to lam-7.0.4 are stable
# mpich.1.2.1 was configured with
# ./configure -prefix=/usr/local/mpich_nodvdbg -fc="pgf77 -Mx,119,0x200000" \
# -f90="pgf90 " \
# --without-romio --without-mpe -opt=-O \
#
# lam was configured with the line
# ./configure -prefix /opt/libs/lam-7.0.4 --with-cflags=-O -with-fc=ifc \
# --with-f77flags=-O --without-romio
#
# please note that you might be able to use a lam or mpich version
# compiled with f77/g77, but then you need to add the following
# options: -Msecond_underscore (compilation) and -g77libs (linking)
#
# !!! Please do not send me any queries on how to install MPI, I will
# certainly not answer them !!!!
#=======================================================================
#-----------------------------------------------------------------------
# fortran linker for mpi: if you use LAM and compiled it with the options
# suggested above, you can use the following line
#-----------------------------------------------------------------------
FC=/usr/bin/mpif90
FCL=$(FC)
#-----------------------------------------------------------------------
# additional options for CPP in parallel version (see also above):
# NGZhalf charge density reduced in Z direction
# wNGZhalf gamma point only reduced in Z direction
# scaLAPACK use scaLAPACK (usually slower on 100 Mbit Net)
#-----------------------------------------------------------------------
CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC \
-Dkind8 -DNGZhalf -DCACHE_SIZE=16000 -DPGF90 -Davoidalloc \
-DMPI_BLOCK=8000 \
-DRPROMU_DGEMV -DRACCMU_DGEMV
#-----------------------------------------------------------------------
# location of SCALAPACK
# if you do not use SCALAPACK simply uncomment the line SCA
#-----------------------------------------------------------------------
#BLACS=$(HOME)/archives/SCALAPACK/BLACS/
#SCA_=$(HOME)/archives/SCALAPACK/SCALAPACK
#SCA= $(SCA_)/libscalapack.a \
#$(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-INUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a
#SCA=
SCA=/opt/intel/mkl/10.2.6.038/lib/em64t/libmkl_scalapack_lp64.a /opt/intel/mkl/10.2.6.038/lib/em64t/libmkl_blacs_intelmpi_lp64.a
#-----------------------------------------------------------------------
# libraries for mpi
#-----------------------------------------------------------------------
LIB = -L../vasp.4.lib -ldmy \
../vasp.4.lib/linpack_double.o $(LAPACK) \
$(SCA) $(BLAS)
# FFT: fftmpi.o with fft3dlib of Juergen Furthmueller
#FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o
# fftw.3.0.1 is slighly faster and should be used if available
#FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /usr/local/lib/libfftw3l.a
FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /usr/local/lib/libfftw3.a
#-----------------------------------------------------------------------
# general rules and compile lines
#-----------------------------------------------------------------------
BASIC= symmetry.o symlib.o lattlib.o random.o
SOURCE= base.o mpi.o smart_allocate.o xml.o \
constant.o jacobi.o main_mpi.o scala.o \
asa.o lattice.o poscar.o ini.o setex.o radial.o \
pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o $(BASIC) \
nonl.o nonlr.o dfast.o choleski2.o \
mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o \
metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o \
tet.o hamil.o steep.o \
chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o \
ebs.o wavpre.o wavpre_noio.o broyden.o \
dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o \
brent.o stufak.o fileio.o opergrid.o stepver.o \
dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o \
edtest.o electron.o shm.o pardens.o paircorrection.o \
optics.o constr_cell_relax.o stm.o finite_diff.o \
elpol.o setlocalpp.o aedens.o
INC=
vasp: $(SOURCE) $(FFT3D) $(INC) main.o
rm -f vasp.intel.band
$(FCL) -o vasp.intel.band $(LINK) main.o $(SOURCE) $(FFT3D) $(LIB)
makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC)
$(FCL) -o makeparam $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIB)
zgemmtest: zgemmtest.o base.o random.o $(INC)
$(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIB)
dgemmtest: dgemmtest.o base.o random.o $(INC)
$(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIB)
ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC)
$(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $(LIB)
kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC)
$(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIB)
clean:
-rm -f *.g *.f *.o *.L *.mod *.f90 ; touch *.F
main.o: main$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c main$(SUFFIX)
xcgrad.o: xcgrad$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcgrad$(SUFFIX)
xcspin.o: xcspin$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcspin$(SUFFIX)
makeparam.o: makeparam$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c makeparam$(SUFFIX)
makeparam$(SUFFIX): makeparam.F main.F
#
# MIND: I do not have a full dependency list for the include
# and MODULES: here are only the minimal basic dependencies
# if one strucuture is changed then touch_dep must be called
# with the corresponding name of the structure
#
base.o: base.inc base.F
mgrid.o: mgrid.inc mgrid.F
constant.o: constant.inc constant.F
lattice.o: lattice.inc lattice.F
setex.o: setexm.inc setex.F
pseudo.o: pseudo.inc pseudo.F
poscar.o: poscar.inc poscar.F
mkpoints.o: mkpoints.inc mkpoints.F
wave.o: wave.inc wave.F
nonl.o: nonl.inc nonl.F
nonlr.o: nonlr.inc nonlr.F
$(OBJ_HIGH):
$(CPP)
$(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX)
$(OBJ_NOOPT):
$(CPP)
$(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX)
fft3dlib_f77.o: fft3dlib_f77.F
$(CPP)
$(F77) $(FFLAGS_F77) -c $*$(SUFFIX)
.F.o:
$(CPP)
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
.F$(SUFFIX):
$(CPP)
$(SUFFIX).o:
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
# special rules
#-----------------------------------------------------------------------
# these special rules are cummulative (that is once failed
# in one compiler version, stays in the list forever)
# -tpp5|6|7 P, PII-PIII, PIV
# -xW use SIMD (does not pay of on PII, since fft3d uses double prec)
# all other options do no affect the code performance since -O1 is used
#-----------------------------------------------------------------------
fft3dlib.o : fft3dlib.F
$(CPP)
$(FC) -FR -lowercase -O1 -tpp7 -xW -unroll0 -w95 -vec_report3 -c $*$(SUFFIX)
fft3dfurth.o : fft3dfurth.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
radial.o : radial.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
symlib.o : symlib.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
symmetry.o : symmetry.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
dynbr.o : dynbr.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
broyden.o : broyden.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
us.o : us.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
wave.o : wave.F
$(CPP)
$(FC) -FR -lowercase -O0 -c $*$(SUFFIX)
LDApU.o : LDApU.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
error in parallel installation of vasp on ubuntu
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error in parallel installation of vasp on ubuntu
Last edited by Isha on Thu Mar 10, 2011 4:37 am, edited 1 time in total.
-
- Hero Member
- Posts: 584
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error in parallel installation of vasp on ubuntu
You are probably missing some fortran libraries, like libsvml.so and so on.
Cheers,
alex
Cheers,
alex
Last edited by alex on Thu Mar 10, 2011 8:25 am, edited 1 time in total.