Re: [gmx-users] compile 2016-beta2 failed

On 6/17/16 4:15 PM, Albert wrote: HI Mark: But in my machine, all the file from cuda-7.5 development package has been installed. Have you tried compiling without -j32? In my experience, trying to use too many cores to compile leads to unpredictable failures, like files failing to be

Re: [gmx-users] compile 2016-beta2 failed

Hi, That's just one part of the puzzle, since you're also trying to use icc and MPI. Mark On Fri, Jun 17, 2016 at 10:16 PM Albert wrote: > HI Mark: > > But in my machine, all the file from cuda-7.5 development package has > been installed. > > thanks again. > > On

Re: [gmx-users] compile 2016-beta2 failed

HI Mark: But in my machine, all the file from cuda-7.5 development package has been installed. thanks again. On 06/17/2016 10:03 PM, Mark Abraham wrote: Hi, My earlier comments all stand - you need a working cuda compilation environment, and the people to help you do that are the

Re: [gmx-users] compile 2016-beta2 failed

Hi, My earlier comments all stand - you need a working cuda compilation environment, and the people to help you do that are the people who installed it :-) Mark On Fri, Jun 17, 2016 at 9:52 PM Albert wrote: > Thanks a lot for such comments. > > I specified the path of

Re: [gmx-users] compile 2016-beta2 failed

Thanks a lot for such comments. I specified the path of cicc in my .bashrc as the following: export PATH=/opt/common/cuda-7.5/nvvm/bin:$PATH Then compiled it again cmake .. -DCMAKE_INSTALL_PREFIX=/home/albert/install/gromacs/2016-beta2 -DGMX_GPU=ON -DGMX_MPI=ON

Re: [gmx-users] compile 2016-beta2 failed

Subject: Re: [gmx-users] compile 2016-beta2 failed HEllo Mark: Thanks a lot for the reply. I replied Gromacs with the following command line: cmake .. -DCMAKE_INSTALL_PREFIX=/home/albert/install/gromacs/2016-beta2 -DGMX_GPU=ON -DGMX_MPI=ON -DCUDA_TOOLKIT_ROOT_DIR=/opt/common/cuda-7.

Re: [gmx-users] compile 2016-beta2 failed

Hi, You're going to need to talk to your cluster admin about how to get a working CUDA compilation setup. Once you have that, GROMACS will compile. Mark On Fri, Jun 17, 2016 at 8:56 PM Albert wrote: > HEllo Mark: > > Thanks a lot for the reply. > > I replied Gromacs with

Re: [gmx-users] compile 2016-beta2 failed

HEllo Mark: Thanks a lot for the reply. I replied Gromacs with the following command line: cmake .. -DCMAKE_INSTALL_PREFIX=/home/albert/install/gromacs/2016-beta2 -DGMX_GPU=ON -DGMX_MPI=ON -DCUDA_TOOLKIT_ROOT_DIR=/opt/common/cuda-7.5 make -j32 But it still failed with messages: Building

Re: [gmx-users] compile 2016-beta2 failed

Hi, Whatever cicc is, you look like you've changed the environment between when you started make and continued it. That's probably unwise. Also you made a spelling error in your install prefix, which you probably want to fix. Mark On Fri, Jun 17, 2016 at 8:38 PM Albert