VASP 4.6 Parallel Compile Fails (fftmpi_map.o)

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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GeorgetownARC

VASP 4.6 Parallel Compile Fails (fftmpi_map.o)

#1 Post by GeorgetownARC » Thu Nov 30, 2006 4:24 pm

I am unsuccessfully compiling parallel VASP on an AMD Opteron with the following software:

RedHat Linux ELAS 4.0, update 4 (64-bit)
VASP 4.6
Portland pgf90 6.0-8 64-bit
mpich2-1.0.4p1
fftw-3.1.2
GotoBLAS-1.09

I've compiled VASP for non-parallel execution and it works fine. I've also made sure that MPICH2 works.

When I compile VASP I get the following errors when it tries to build fftmpi_map.o:

./preprocess <fftmpi_map.F | /usr/bin/cpp -P -C -traditional >fftmpi_map.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=8000 -DPGF90 -Davoidalloc
mpif90 -Mfree -tp k8-64 -i8 -O3 -c fftmpi_map.f90

PGF90-S-0142-node_me is not a member of this RECORD (fftmpi_map.f90: 77)
PGF90-S-0142-ionode is not a member of this RECORD (fftmpi_map.f90: 78)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 97)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 119)
PGF90-S-0142-mpi_comm is not a member of this RECORD (fftmpi_map.f90: 142)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 229)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 245)
0 inform, 0 warnings, 7 severes, 0 fatal for mapset
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 327)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 335)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 339)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 344)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 352)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 356)
0 inform, 0 warnings, 6 severes, 0 fatal for map_forward
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 383)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 390)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 394)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 404)
PGF90-S-0142-ncpu is not a member of this RECORD (fftmpi_map.f90: 411)
0 inform, 0 warnings, 5 severes, 0 fatal for map_backward
make: *** [fftmpi_map.o] Error 2

*******************

Makefile Changes:

FC=mpif90

BLAS= /usr/local/lib/libgoto_opteronp-r1.09.so

FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /usr/local/lib/libfftw3.a

*******************

I can include the entire Makefile is it would be useful.

I'm searched forum and the web and have been able to find any clues as to what is happening. I would appreciate any help or ideas.

Jess
<span class='smallblacktext'>[ Edited ]</span>
Last edited by GeorgetownARC on Thu Nov 30, 2006 4:24 pm, edited 1 time in total.

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VASP 4.6 Parallel Compile Fails (fftmpi_map.o)

#2 Post by admin » Fri Dec 01, 2006 12:22 pm

please use the appropriate precompiler options for generating a parallel executable: have a look in your makefile: -DMPI has to be set in any case, -DNGXhalf has to be replaced by -DNGZhalf
Last edited by admin on Fri Dec 01, 2006 12:22 pm, edited 1 time in total.

GeorgetownARC

VASP 4.6 Parallel Compile Fails (fftmpi_map.o)

#3 Post by GeorgetownARC » Fri Dec 01, 2006 2:24 pm

I feel like an idiot.

Thank you for catching the fact that I forgot to uncomment the cpp lines underneath the MPI section. Uncommenting out those lines allowed it to compile correctly.

Thank you.
Jess
Last edited by GeorgetownARC on Fri Dec 01, 2006 2:24 pm, edited 1 time in total.

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VASP 4.6 Parallel Compile Fails (fftmpi_map.o)

#4 Post by admin » Thu Dec 07, 2006 10:25 am

no problem, happens to all of us now and then! :)
Last edited by admin on Thu Dec 07, 2006 10:25 am, edited 1 time in total.

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