Greetings,
thanks for all the replies. To use the IBM64 version of GlobalArrays, another approach is to disable the usage of AIO while compiling GlobalArrays with setting:
export NOAIO=Y
before, as Nick pointed out in PM. But I will investigate anyway, what speed impact this or the other way has on the calculations. This posting completes the discussion for further lookups by other users.
Cheers - Reuti
Sigismondo Boschi wrote:
Hi,
This error should be related to the fact that asyncronous I/O (AIO) is not enabled on your machine: contact the system administrator to enable it and try to run again. I know of a similar error for the NWchem package, and it seems to be the same.
Regards,
Sigismondo
Reuti wrote:
Hi again,
so I compiled the serial version and it tested fine. Next step is the parallel version using the 64 bit IBM64 compilation of Global Arrays on this RS6000 cluster. The Global Arrays compiled and tested fine.
I found the following 'error' during the compilation of Molpro (although it ran up to the end without any further error and I also got all files [which are not working]):
/usr/bin/xlf_r -I. -I/home/reuti/molpro2002.6/src -NA16384 -NQ20000 -qzerosize -qcharlen=1024 -qextname -qmaxmem=-1 -qnolm -qa
rch=auto -q64 -qwarn64 -qintsize=8 -Wl,-bbigtoc -O3 -o /home/reuti/molpro2002.6/bin/molprop_2002_6_i8_tcgmsg.exe molver.o molp
ro.o -L/home/reuti/molpro2002.6/lib -lmolpro -L/home/reuti/local/ga-3.3.1/lib -lglobal -ltcgmsg -lma -lpario -larmci -lgks0 -
lessl_r -L/home/reuti/local/ga-3.3.1/lib -lglobal -ltcgmsg -lma -lpario -larmci
ld: 0711-783 WARNING: TOC overflow. TOC size: 81216 Maximum size: 65536
Extra instructions are being generated for each reference to a TOC
symbol if the symbol is in the TOC overflow area.
And the resulted binary give only the test output:
make MOLPRO_OPTIONS=-n2 test .. <snip> .. cp -p /home/reuti/local/ga-3.3.1/bin/parallel bin/parallel Running test job h2o_vdz.test
exec(): 0509-036 Cannot load program /home/reuti/molpro2002.6/bin/molprop_2002_6_i8_tcgmsg.exe because of the following errors
:
0509-130 Symbol resolution failed for /usr/lib/libc.a[posix_aio_64.o] because:
0509-136 Symbol _posix_kaio_rdwr64 (number 2) is not exported from
dependent module /unix.
0509-136 Symbol _posix_listio64 (number 3) is not exported from
dependent module /unix.
0509-136 Symbol _posix_acancel64 (number 4) is not exported from
dependent module /unix.
0509-136 Symbol _posix_iosuspend64 (number 5) is not exported from
dependent module /unix.
0509-136 Symbol _posix_aio_nwait (number 6) is not exported from
dependent module /unix.
0509-136 Symbol _posix_iofsync64 (number 7) is not exported from
dependent module /unix.
0509-150 Dependent module libc.a(posix_aio_64.o) could not be loaded.
0509-026 System error: Cannot run a file that does not have a valid format.
0509-192 Examine .loader section symbols with the
'dump -Tv' command.
2: interrupt(1)
**** PROBLEMS WITH TEST JOB h2o_vdz.test
h2o_vdz.test: ERRORS DETECTED: non-zero return code ... inspect output
Okay, I check the error output:
$:~/molpro2002.6/testjobs> cat h2o_vdz.errout tmp = /home/reuti/pdir//home/reuti/molpro2002.6/bin/molprop_2002_6_i8_tcgmsg.exe.p
Creating: host=hlr6, user=reuti,
file=/home/reuti/molpro2002.6/bin/molprop_2002_6_i8_tcgmsg.exe, port=47468
h2o_vdz.test: ERRORS DETECTED: non-zero return code ... inspect output
What output can I check now? Also the mentioned dump command (which works only by specifying -X64) shows no strange things in the loader table.
What can I investigate next to get it working?
Cheers - Reuti
