vasp 4.6.26 mpi on Athron64 with ifce 8.1 dosen't work
Posted: Sat Apr 30, 2005 3:14 am
Hello,
I compile vasp 4.6.26 mpi with ifce 8.1 (x86-64) and mpich 1.2.6 on Athron64.
When running it, I got error message like this,
------
LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 7
reading WAVECAR
entering main loop
N E dE d eps ncg rms rms(c)
/usr/local/calc/mpich/bin/mpirun.ch_p4: line 243: 2241 Segmentation fault /usr/local/src/vasp.4.6.26-mpi-gamma-ifc81-mkl72/vasp -p4pg
-----
I have no idea how to compile in this environment.
I tried two types of makefiles which are modified slightly from makefile.linux_ifc_P4 and makefile.linux_ifc_ath.
I could run vasp 4.6.21 mpi by using slightly modified makefile.linux_ifc_P4.
Would anyone give me any hint ?
Thank you,
I compile vasp 4.6.26 mpi with ifce 8.1 (x86-64) and mpich 1.2.6 on Athron64.
When running it, I got error message like this,
------
LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 7
reading WAVECAR
entering main loop
N E dE d eps ncg rms rms(c)
/usr/local/calc/mpich/bin/mpirun.ch_p4: line 243: 2241 Segmentation fault /usr/local/src/vasp.4.6.26-mpi-gamma-ifc81-mkl72/vasp -p4pg
-----
I have no idea how to compile in this environment.
I tried two types of makefiles which are modified slightly from makefile.linux_ifc_P4 and makefile.linux_ifc_ath.
I could run vasp 4.6.21 mpi by using slightly modified makefile.linux_ifc_P4.
Would anyone give me any hint ?
Thank you,