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?
Regards,
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
