vamironov
commented
4 years ago This is a compiler bug. I can make a quick fix if this is important for you.
Open tomoppe opened 4 years ago
vamironov
commented
4 years ago This is a compiler bug. I can make a quick fix if this is important for you.
tomoppe
commented
4 years ago Vladimir,
Yes I would appreciate a fix for the routine. I would like to check out the 47-test regression suite for these earlier PGI compilers.
Tom Oppe
From: Vladimir Mironov [mailto:notifications@github.com] Sent: Monday, February 10, 2020 2:34 AM To: gms-bbg/gamess-issues gamess-issues@noreply.github.com Cc: Oppe, Thomas C ERDC-RDE-ITL-MS Contractor Thomas.C.Oppe@erdc.dren.mil; Author author@noreply.github.com Subject: Re: [gms-bbg/gamess-issues] Problem compiling "mod_dft_fuzzycell.src" with older PGI compilers (#19)
This is a compiler bug. I can make a quick fix if this is important for you.
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colleeneb
commented
4 years ago @vamironov just checking--did this get a fix?
Platform: Cray XC40 "gordon" at Navy DSRC
gordon02> uname -a Linux gordon02 3.0.101-0.47.106.59.1.17833.1.PTF-default #1 SMP Fri Jul 12 15:25:20 UTC 2019 (22227d7) x86_64 x86_64 x86_64 GNU/Linux
GAMESS version: September 30, 2019 R2 Public Release
gordon02> module list Currently Loaded Modulefiles: 1) modules/3.2.10.5 2) eswrap/1.3.3-1.020200.1280.0 3) switch/1.0-1.0502.60522.1.61.ari 4) pgi/16.10.0 5) craype-haswell 6) craype-network-aries 7) craype/2.5.9 8) cray-mpich/7.5.3 9) pbs 10) bct-env/0.1 11) mpscp/1.3a 12) totalview/8.13.0 13) udreg/2.3.2-1.0502.10518.2.17.ari 14) ugni/6.0-1.0502.10863.8.29.ari 15) pmi/5.0.14 16) dmapp/7.0.1-1.0502.11080.8.76.ari 17) gni-headers/4.0-1.0502.10859.7.8.ari 18) xpmem/0.1-2.0502.64982.5.3.ari 19) dvs/2.5_0.9.0-1.0502.2188.1.116.ari 20) alps/5.2.4-2.0502.9774.31.11.ari 21) rca/1.0.0-2.0502.60530.1.62.ari 22) atp/2.1.0 23) PrgEnv-pgi/5.2.82
Problem statement: Older PGI compilers cannot compile "mod_dft_fuzzycell.F90"
gordon02> pgf90 -V
pgf90 16.10-0 64-bit target on x86-64 Linux -tp haswell
gordon02> pgf90 -c -i8 -mcmodel=medium -O2 mod_dft_fuzzycell.F90 PGF90-S-0446-Argument number 1 to bfnz: rank mismatch (mod_dft_fuzzycell.F90: 73) 0 inform, 0 warnings, 1 severes, 0 fatal for prune_basis
A newer PGI compiler has no problem:
gordon02> pgf90 -V
pgf90 17.10-0 64-bit target on x86-64 Linux -tp haswell
gordon02> pgf90 -c -i8 -mcmodel=medium -O2 mod_dft_fuzzycell.F90 gordon02>
gordon02> pgf90 -c -i8 -mcmodel=medium -fastsse -O4 -Mfpmisalign mod_dft_fuzzycell.F90 gordon02>
I could not find a compiler option to mitigate the problem, but you may have better luck finding such an option.
Thank you.
Tom Oppe
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