Re: [gmx-users] Installing gmx 5.0.5 in mpi

2015-07-13 Thread Mark Abraham
Hi, On Mon, Jul 13, 2015 at 4:31 AM Raju wrote: > Dear gmx users, > > > I have a 24 HPC with gtx 980ti of PC and wants to install gmx 5.0.5. > > > I was able to install by configuring cuda and openmpi but when i use the > following the commands the installation wents sucfess but they only workin

[gmx-users] Installing gmx 5.0.5 in mpi

2015-07-12 Thread Raju
Dear gmx users, I have a 24 HPC with gtx 980ti of PC and wants to install gmx 5.0.5. I was able to install by configuring cuda and openmpi but when i use the following the commands the installation wents sucfess but they only working with adding mpi. cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRE