ABINIT Discussion Forums

Dear Abinitioners,

I need some help compiling abinitv6.6.1 using the PGI compiler. I am trying to compile the sequential file, as simply as possible, but I run into the following error:

pgf90 -DHAVE_CONFIG_H -I. -I../../../src/12_hide_mpi -I../.. -I../../src/incs -I../../../src/incs -g -c -o m_xmpi.o ../../../src/12_hide_mpi/m_xmpi.F90
PGF90-F-0004-Unable to open MODULE file defs_basis.mod (../../../src/12_hide_mpi/m_xmpi.F90: 32)

I understand it is an error found by another user in previous version of abinit, with an older version of the compiler. The fix of including -module in the configure introduces other errors for netcdf to find other modules. Am I missing some simple flags?

Here are the config files:


Thank you.

Best regards,
Philip

Hi,

Ultimately made it work by compiling the plugins first (netcdf and etsf_io), then adding

FCFLAGS_EXTRA="-module ${PWD}/src/mods -I${PWD}/plugins/netcdf -I${PWD}/plugins/etsf_io"

and compiling the rest. After much compilation, I come across this error:

ILM file: can't find intrinsic ..sqrt
PGF90-F-0000-Internal compiler error. Errors in ILM file 1 (../../../src/56_xc/mkvxcgga3.F90: 91)

During the compilation, there were many comments such as

PGF90-W-0435-Array declared with zero size (../../../src/56_recipspace/m_gsphere.F90: 1754)

which seem a bit odd.

Please help.

Thank you

Philip

We don't support PGI compilers anymore, because even when one succeeds in compiling Abinit with them, the test suite usually fails.

If you really want to use PGI and get successful results with the test suite, please let us know about all tricks you had to use. We'll then be able to think whether we could reintroduce support for those compilers.

Thank you, Yann. I'd rather make my life easier. Which compiler would you recommend as working better? The cluster here runs Rocks on Opteron cores.

Best Regards,
Philip

Hi Philip,

gcc/gfortran, let's say versions >= 4.3, are working fine. And if you have time to tune it better, consider ATLAS and FFTW3 external libraries.

Kind regards,

Alain