From: Neha Gandhi <n.gandhiau.gmail.com>
Date: Thu, 15 Dec 2011 10:59:17 +0800

Dear List,

I have run few simulations using pmemd.MPI on CPU cluster. I latter copied
these files to GPU cluster and tried running jobs using pmemd.cuda.MPI. But
the jobs don't run ending with following error:
At line 402 of file mdin_ctrl_dat.f90 (unit = 5, file = 'sander.in4')
Fortran runtime error: End of file
mpirun has exited due to process rank 0 with PID 30950 on
node cn8 exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).

Is it because AMBER was compiled using intel-compilers on CPU whereas the
GPU uses the gcc compilers?

Neha Gandhi,
School of Biomedical Sciences,
Curtin University of Technology,
GPO Box U1987 Perth,
Western Australia 6845
Phone: 9266 9061
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Received on Wed Dec 14 2011 - 19:00:02 PST
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