Re: [gmx-users] Launching MPI/OpenMP hybrid run

2014-03-05 Thread alex.bjorling
Carsten Kutzner wrote > On 04 Mar 2014, at 13:43, alex.bjorling < > alex.bjorling@ > > wrote: > >> Carsten Kutzner wrote >>> On 04 Mar 2014, at 13:08, Alexander Björling < >> >>> alex.bjorling@ >> >>> > wrote: >>> Dear users, I'm trying to run simulations on a cluster of nodes

Re: [gmx-users] Launching MPI/OpenMP hybrid run

2014-03-04 Thread Mark Abraham
On Tue, Mar 4, 2014 at 1:08 PM, Alexander Björling wrote: > Dear users, > > I'm trying to run simulations on a cluster of nodes, each sporting two AMD > Opteron 8-core CPU:s. I would like to have one MPI process on each CPU, > with OpenMP threads on the 8 cores of each. I've compiled gromacs 5.0 w

Re: [gmx-users] Launching MPI/OpenMP hybrid run

2014-03-04 Thread Carsten Kutzner
On 04 Mar 2014, at 13:43, alex.bjorling wrote: > Carsten Kutzner wrote >> On 04 Mar 2014, at 13:08, Alexander Björling < > >> alex.bjorling@ > >> > wrote: >> >>> Dear users, >>> >>> I'm trying to run simulations on a cluster of nodes, each sporting two >>> AMD >>> Opteron 8-core CPU:s. I wou

Re: [gmx-users] Launching MPI/OpenMP hybrid run

2014-03-04 Thread alex.bjorling
Carsten Kutzner wrote > On 04 Mar 2014, at 13:08, Alexander Björling < > alex.bjorling@ > > wrote: > >> Dear users, >> >> I'm trying to run simulations on a cluster of nodes, each sporting two >> AMD >> Opteron 8-core CPU:s. I would like to have one MPI process on each CPU, >> with OpenMP threa

Re: [gmx-users] Launching MPI/OpenMP hybrid run

2014-03-04 Thread Carsten Kutzner
On 04 Mar 2014, at 13:08, Alexander Björling wrote: > Dear users, > > I'm trying to run simulations on a cluster of nodes, each sporting two AMD > Opteron 8-core CPU:s. I would like to have one MPI process on each CPU, > with OpenMP threads on the 8 cores of each. I've compiled gromacs 5.0 with

[gmx-users] Launching MPI/OpenMP hybrid run

2014-03-04 Thread Alexander Björling
Dear users, I'm trying to run simulations on a cluster of nodes, each sporting two AMD Opteron 8-core CPU:s. I would like to have one MPI process on each CPU, with OpenMP threads on the 8 cores of each. I've compiled gromacs 5.0 with intel MPI and OpenMP enabled. To get it running I'm just using