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MPI does not terminate after execution #445 10/24/03 06:39 AM
Joined: Oct 2003 Posts: 40 Pretoria, South Africa tjaart OP Forum Member
OP tjaart Forum Member Joined: Oct 2003 Posts: 40 Pretoria, South Africa	Hi When I run a CHARMM command with MPI then I get that the program does not terminate. When I run a minimzation for example then I see in the outfile that it is finished yet MPI keeps going. The stream option described in the manual for MPI also does not work. How do I fix this? Thanks!!! Tjaart de Beer

Re: MPI does not terminate after execution tjaart #446 11/13/03 11:34 PM
Joined: Nov 2003 Posts: 200 tsri (scripps) san diego, ca crowley Forum Member
crowley Forum Member Joined: Nov 2003 Posts: 200 tsri (scripps) san diego, ca	We need some more information, like what machine, what mpi library, what version of charmm. Thanks Mike Physical mail: Dr. Michael F. Crowley National Renewable Energy Laboratory, MS 3323 1617 Cole Blvd. Golden, CO 80401

Re: MPI does not terminate after execution crowley #447 11/17/03 06:07 AM
Joined: Oct 2003 Posts: 40 Pretoria, South Africa tjaart OP Forum Member
OP tjaart Forum Member Joined: Oct 2003 Posts: 40 Pretoria, South Africa	We are using SGI's version of MPI (and their library) on a SGI Origin 2000 with 14 cpu's and 3.5 GB RAM. We are using CHARMM v29b. Any help would be appreciated. Thanks!!! Tjaart de Beer

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