[molpro-user] problem with optg crashing in 2008.1 with pathf90
Benj FitzPatrick
benjfitz at uchicago.edu
Mon Nov 17 02:05:10 GMT 2008
Hello,
I have 2008.1 working just fine with ifort, but with pathf90 (3.2) I keep
getting this error when a multiprocessor job starts calculating the gradients or
hessian in optg (if I use -n 1 then the job runs fine).
...
GA USED * 0.00 MB (max) 0.00 MB (current)
**********************************************************************************************************************************
GLOBAL ERROR fehler on processor 0
GLOBAL ERROR fehler on processor 1
PROGRAM * OPT (Geometry optimization) Authors: F. Eckert and H.-J. Werner
*** Long output written to logfile /comp/ab/molpro-2008.1/builds/10g/molpro.log ***
Geometry optimization using default procedure for command UCCSD(T)
Geometry written to block 1 of record 700
Number of displacements for numerical gradient: 12
Starting numerical gradient for UCCSD(T)
USED MEMORY IN ciinp: 690 0
FREE MEMORY IN ciinp: 99999210 690
? Error
? Inconsistent memory
? The problem occurs in check_address
tmp = /home/benjfitz/pdir//comp/ab/molpro-2008.1/builds/10g/bin/molpro.exe.p
Creating: host=benjfitz, user=benjfitz,
file=/comp/ab/molpro-2008.1/builds/10g/bin/molpro.exe, port=46538
Creating: host=benjfitz, user=benjfitz,
file=/comp/ab/molpro-2008.1/builds/10g/bin/molpro.exe, port=43077
I have attached my CONFIG file, the output file, and I am using patch level 14.
I'd greatly appreciate it if anybody can try this job for me or let me know
what I'm doing wrong.
Thanks,
Benj FitzPatrick
University of Chicago
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