Yes. Please start by reading the reply Justin made a few days ago. Your "normal" is unknown to us.
Mark On Jun 24, 2014 10:29 PM, "Tom" <dna...@gmail.com> wrote: > Dear Gromacs Developers and Experts: > > I noticed that the performance of gromacs on Cray linux clusters is only > 36.7% of the normal. > > > The following is the detail about the installation > -------------------------- > CC=gcc FC=ifort F77=ifort CXX=icpc > CMAKE_PREFIX_PATH=/opt/cray/modulefiles/cray-mpich/6.3.0 > cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=OFF -DGMX_MPI=ON > -DBUILD_SHARED_LIBS=off -DCMAKE_SKIP_RPATH=ON > -DCMAKE_INSTALL_PREFIX=~/App/GROMACS > make F77=gfortran > make install > ---------------------- > > This is the bash_profile: > --------------------- > module swap PrgEnv-pgi PrgEnv-gnu > module load cmake > export PATH=/home/test/App/GROMACS/bin:$PATH > ------------------------- > > Is there any suggestion for my installation to improve the efficiency? > > Thanks! > > Thomas > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.