Re: [gmx-users] efficiency in HPC

On Thu, Aug 29, 2013 at 9:54 PM, Albert wrote: > Hello: > > I compiled 4.6.3 in HPC with following steps: > > > setenv OBJECT_MODE 64 > /opt/cmake/2.8.9_new/bin/cmake .. -DCMAKE_INSTALL_PREFIX=/opt/gromacs/4.6.3 > -DBUILD_SHARED_LIBS=OFF -DCMAKE_BUILD_TYPE=Release > -DGMX_SOFTWARE_INVSQRT=OFF -DG

Re: [gmx-users] efficiency in HPC

On 08/29/2013 10:31 PM, Prentice Bisbal wrote: Albert, It looks like you are trying to compile for an IBM Power 7 system. What is the 'other machine' you are comparing it to, and did you use the same number of cores in each case? Prentice yes it is. here is the configurations: * 4 IBM PO

Re: [gmx-users] efficiency in HPC

Albert, It looks like you are trying to compile for an IBM Power 7 system. What is the 'other machine' you are comparing it to, and did you use the same number of cores in each case? Prentice On 08/29/2013 03:54 PM, Albert wrote: Hello: I compiled 4.6.3 in HPC with following steps: set

[gmx-users] efficiency in HPC

Hello: I compiled 4.6.3 in HPC with following steps: setenv OBJECT_MODE 64 /opt/cmake/2.8.9_new/bin/cmake .. -DCMAKE_INSTALL_PREFIX=/opt/gromacs/4.6.3 -DBUILD_SHARED_LIBS=OFF -DCMAKE_BUILD_TYPE=Release -DGMX_SOFTWARE_INVSQRT=OFF -DGMX_GPU=OFF -DGMX_MPI=ON -DGMX_THREAD_MPI =OFF -DGMX_X11=OFF