My mistake. Please ignore "md.out" file comment. I assume you are not seeing output to any files, but what about initialization message?
Could you share your script? Also do you have a large data set?
Pratul K. Agarwal, Ph.D.
(Editorial Board Member: PLoS ONE, Microbial Cell Factories)
Web: http://www.agarwal-lab.org/
On 4/23/2019 8:52 AM, Pratul Agarwal wrote:
Could you please give additional information? Did you see any output at all in md.out file? How do you know the program is running? Are CPUs under load?
Pratul K. Agarwal, Ph.D.
(Editorial Board Member: PLoS ONE, Microbial Cell Factories)
Web: http://www.agarwal-lab.org/
On 4/23/2019 8:44 AM, Benard, Dany wrote:
Hi Amber Team,
We have an issue with the cpptraj.MPI command line.
We tried to run calculations on parallel CPU, the program seems running but nothing happens, no result no error message...
Did you have already see this error before?
Thank in advance for your help we are completly stuck.
Best regards,
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Received on Tue Apr 23 2019 - 06:00:05 PDT
