VTST Installation --(I) Incorrect pragma ignored

Vasp transition state theory tools

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mehmetb
Posts: 3
Joined: Sat Aug 02, 2008 10:10 pm

VTST Installation --(I) Incorrect pragma ignored

Post by mehmetb »

Hello,

I am trying to install VTST on SysX cluster of Virginia Tech. It is a MacOS cluster using mpich-1.2.5 with XLF 8.1. Here's the error I am getting:

Code: Select all

=================================================
/usr/bin/cpp -P -C  -DHOST=\"\" -Dkind8 -DNGZhalf -DCACHE_SIZE=16000 -Davoidalloc -DRPROMU_DGEMV <dimer.F >dimer.F90
/nfs/compilers/mpich-1.2.5/bin/mpif90 -f90=xlf90 -qarch=auto -qmaxmem=-1 -qstrict -qextname -qinitauto -qsuffix=cpp=F90 -WF,-Dkind8,-DwNGZhalf,-DCACHE_SIZE=16000,-DMPI -O5   -c dimer.F90
"dimer.F90", line 1.1: 1506-224 (I) Incorrect pragma ignored.
"dimer.F90", line 1.1: 1515-019 (S) Syntax is incorrect.
"dimer.F90", line 1.1: 1515-018 (S) Incorrect character found in source at line 1 in column 1.  Hexadecimal value of character is 23.
"dimer.F90", 1515-002 (S) END card is missing.  One is assumed.
** _main   === End of Compilation 1 ===
** dimer   === End of Compilation 2 ===
1501-511  Compilation failed for file dimer.F90.
make: *** [dimer.o] Error 1
================================================

The first line of dimer.F90 reads:

#pragma GCC set_debug_pwd "/home/mehmetb/VASP/Adam-vasp-osx/vasp.4.6.nosclapack.TST.Memo"

Any suggestions? Thanks a lot in advance!

-Memo
andri
Site Admin
Posts: 117
Joined: Tue Apr 26, 2005 6:20 am

Re: VTST Installation --(I) Incorrect pragma ignored

Post by andri »

This sounds more like a problem with your setup than the code. Have you tried to delete all (after making a backup copy of the entire directory first of course) .o , .mod and .F90 files and compile from scratch? I am pretty sure that you will have this problem with most of the .F files. It looks like your preprocressor (cpp) is failing. See if there is a version of cpp in the same directory as xlf90 itself (try "which xlf90" at the command line) and use that instead of the default one. In the make file, I would also change SUFFIX=.F90 to .f90 and add "-qsuffix=f=f90" to the FFLAGS line.
mehmetb
Posts: 3
Joined: Sat Aug 02, 2008 10:10 pm

Re: VTST Installation --(I) Incorrect pragma ignored

Post by mehmetb »

You are right, a compilation from clean source worked! Thank you very much!
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