Dear Edo,
Thanks again for your precious advice. I run the jobs you asked and the code crashed already for memory stack 1500 mb heap 300 mb global 250 mb with a similar message as previously
MA error: MA_init: could not allocate 1887437008 bytes
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nwchem.F: ma_init failed (ga_uses_ma=F) 911
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current input line :
0: memory stack 1500 mb heap 300 mb global 250 mb
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For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
0:0:nwchem.F: ma_init failed (ga_uses_ma=F):: 911
(rank:0 hostname:wcu02 pid:356372):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
Last System Error Message from Task 0:: There is not enough memory available now.
ERROR: 0031-250 task 0: Terminated
Compiling nwchem-6.1 fails also with gcc (my gcc version is 4.2.0) when compiling the same
routine as previously, here's the last portion of the make.log
libtool: compille: gcc -DHAVE_CONFIG_H -I. -I../ga-5-1 -I/usr/lpp/ppe.poe/include/thread64 -I/usr/lpp/ppe.poe/include -Ima -I../ga-5-1/ma -I../ga-5-1/LinAlg/lapack+blas -Iglobal/src -I../ga-5-1/global/src -I../ga-5-1/global/testing -I../ga-5-1/pario/dra -I../ga-5-1/pario/eaf -I../ga-5-1/pario/elio -I../ga-5-1/pario/sf -I../ga-5-1/armci/src/include -Iarmci/gaf2c -I../ga-5-1/armci/gaf2c -I../ga-5-1/armci/tcgmsg -MT pario/elio/stat.lo -MD -MP -MF pario/elio/.deps/stat.Tpo -c ../ga-5-1/pario/elio/stat.c -o pario/elio/stat.o
../ga-5-1/pario/elio/stat.c: In function 'elio_stat':
../ga-5-1/pario/elio/stat.c:77: error: storage size of 'ufs_statfs' isn't known
gmake[4]: *** [pario/elio/stat.lo] Error 1
gmake[3]: *** [all-recursive] Error 1
gmake[2]: *** [all] Error 2
gmake[1]: *** [build/.libs/libga.a] Error 1
gmake: *** [libraries] Error 1
I already had trouble compiling other software on AIX in the past because the OS
lacks some of the standard linux headers, libs and commands, but I was always able to
figure out what is missing and install it. In this case I have no idea where the problem lies.
Anyway I would appreciate any piece of advice on how to get one of the versions of nwchem working.
Cheers, Lukasz
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