Dear Amber users,
Below is the error I encountered when running a batch file of sander for MD
runs following 2-step minimization:
*/var/spool/torque/mom_priv/jobs/5731.bircibm.SC: line 17: 14885
Segmentation fault /usr/local/amber10/exe/sander -O -i ./file-in/
wat-md1.in -o ./results/ndm_md1.out -p ./results/ndm-wat.prmtop -c
./results/ndm_min2.rst -r ./results/ndm_md1.rst -x ./results/ndm_md1.mdcrd
-ref ./results/ndm_min2.rst
Unit 30 Error on OPEN:
./results/ndm_md1.rst
/var/spool/torque/mom_priv/jobs/5731.bircibm.SC: line 25:
./results/ndm_md2.rst: No such file or directory
*
could anyone please give me a hint about this? I just dont understand why it
happened 'cause it ran fine for other molecules before. And why didnt it
occur during minimization?
Thank you very much, and really looking forward to your reply.
Regards,
Chinsu
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Received on Sun May 15 2011 - 22:00:02 PDT
