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CUDA-x86.

molpro2006.1 segfault

 
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bchang



Joined: 20 Jul 2005
Posts: 14

PostPosted: Tue Feb 19, 2008 9:05 pm    Post subject: molpro2006.1 segfault Reply with quote

Hi,
curious if anyone encountered seg fault when starting molpro2006.1
the symptom occurs when I first start molpro, it seg fault within a minute.
after 2 or 3 retrys (restarting molpro), it seems to work. This behaviour is consistent everything. It's a serial program with PGF and gcc on
rocks 4.3 kernel 2.6.9-55.0.2.ELsmp.

thanks in advance for your help

output file
---------------------------
patkowsk@compute-0-2 patkowsk]$ cat arhfcc.out_1

Primary working directories: /scratch/patkowsk
Secondary working directories: /scratch/patkowsk
skipped ...

ERROR EXIT
CURRENT STACK: MAIN


**********************************************************************************************************************************
PROGRAMS * TOTAL
CPU TIMES * 0.22
REAL TIME * 0.24 SEC
DISK USED * 0.00 MB
---------------------------

the molpros.rc
--------------------------
-d/scratch/$LOGNAME # directory in which the program should be run
-I/scratch/$LOGNAME # directory to store permanent copies of int files (1)
-W$HOME/wfu # directory to store permanent copies of wf files (2,3)
-L/home/patkowsk/molpro2006.1/lib/ # directory containing library files
-x/home/patkowsk/molpro2006.1/bin/molpros_2006_1_i8_x86_64.exe # executable
-m8000000 # default memory in 8-byte words
-K131072 # mxma cache size in 8-byte words
-B64 # mxma blocking size
-k id=udeledu,date=:2012/10/25,version=:2006&KlYv1dUqDhqeA4ya
--environment MOLPRO_COMPILER=pgf6.0-8
--environment MOLPRO_COMPILER=pgf6.0-8
--environment MOLPRO_BLASLIB=atlas
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hongyon



Joined: 19 Jul 2004
Posts: 551

PostPosted: Wed Feb 20, 2008 9:31 am    Post subject: Reply with quote

Hi,

Please try our latest version 7.1-4. Release 6.0-8 is quite old and may have had some bug that we fix in later release.

Thank you,
Hongyon
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