Re: [gmx-users] Install GROMACS 2018 with CUDA features in dynamic linking way

2018-12-13 Thread Jaime Sierra
command is telling me that: libcudart.so.8.0 => /nfs2/LIBS/x86_64/LIBS/CUDA/8.0/lib64/libcudart.so.8.0 and my environment variables are unset· Regards, Jaime. El jue., 13 dic. 2018 a las 18:27, Szilárd Páll () escribió: > On Thu, Dec 13, 2018 at 6:07 PM Jaime Sierra wrote: > &

Re: [gmx-users] Install GROMACS 2018 with CUDA features in dynamic linking way

2018-12-13 Thread Jaime Sierra
> The default is static. > > -- > Szilárd > On Tue, Dec 11, 2018 at 10:45 AM Jaime Sierra wrote: > > > > I'm trying to rewrite the RPATH because shared libraries paths used by > > GROMACS are hardcoded in the binary. > > > > ldd /nfs2/opt/APPS/x86

Re: [gmx-users] Install GROMACS 2018 with CUDA features in dynamic linking way

2018-12-11 Thread Jaime Sierra
an be linked against gmx even without an RPATH being set). > > I have a vague memory that this may have been the default in CMake or > perhaps it changed at some point. What's your CMake version, perhaps > you're using an old CMake? > > > > > Jaime. > > >

Re: [gmx-users] Install GROMACS 2018 with CUDA features in dynamic linking way

2018-12-08 Thread Jaime Sierra
se-case for rCUDA, but I'm very > interested in your observations and benchmarks results when you have > some. > > Cheers, > On Fri, Dec 7, 2018 at 10:39 AM Jaime Sierra wrote: > > > > Hi, > > > > my name is Jaime Sierra, a researcher from Polytechnic U

[gmx-users] Install GROMACS 2018 with CUDA features in dynamic linking way

2018-12-07 Thread Jaime Sierra
Hi, my name is Jaime Sierra, a researcher from Polytechnic University of Valencia, Spain. I would like to know how to compile & install GROMACS 2018 with CUDA features with the "--cudart=shared" compilation option to use it with our rCUDA software. We haven't had this