Re: [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD

2014-07-28 Thread Seyyed Mohtadin Hashemi
On Sat, Jul 26, 2014 at 1:53 PM, Mark Abraham mark.j.abra...@gmail.com wrote: On Sat, Jul 26, 2014 at 7:35 PM, Seyyed Mohtadin Hashemi haa...@gmail.com wrote: On Jul 26, 2014 4:52 AM, Mark Abraham mark.j.abra...@gmail.com wrote: Hi, That is indeed very weird - particularly if

Re: [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD

2014-07-26 Thread Mark Abraham
Hi, That is indeed very weird - particularly if compiling on the compute nodes with GPU support enabled gives the same result. Both host and compute nodes support rdtscp, so that known suspect is OK. I can only guess that there's something in the CUDA installation process that targets the CPU on

Re: [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD

2014-07-26 Thread Seyyed Mohtadin Hashemi
On Jul 26, 2014 4:52 AM, Mark Abraham mark.j.abra...@gmail.com wrote: Hi, That is indeed very weird - particularly if compiling on the compute nodes with GPU support enabled gives the same result. Both host and compute nodes support rdtscp, so that known suspect is OK. I can only guess that

Re: [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD

2014-07-26 Thread Mark Abraham
On Sat, Jul 26, 2014 at 7:35 PM, Seyyed Mohtadin Hashemi haa...@gmail.com wrote: On Jul 26, 2014 4:52 AM, Mark Abraham mark.j.abra...@gmail.com wrote: Hi, That is indeed very weird - particularly if compiling on the compute nodes with GPU support enabled gives the same result. Both

Re: [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD

2014-07-25 Thread Justin Lemkul
On 7/25/14, 4:17 PM, Seyyed Mohtadin Hashemi wrote: On Fri, Jul 25, 2014 at 3:00 PM, Seyyed Mohtadin Hashemi haa...@gmail.com wrote: Hi everyone, I'm having a very weird problem with GROMACS 4.6.6: I am currently testing out GPU capabilities and was trying to compile GROMACS with CUDA

Re: [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD

2014-07-25 Thread Seyyed Mohtadin Hashemi
On Fri, Jul 25, 2014 at 3:17 PM, Seyyed Mohtadin Hashemi haa...@gmail.com wrote: On Fri, Jul 25, 2014 at 3:00 PM, Seyyed Mohtadin Hashemi haa...@gmail.com wrote: Hi everyone, I'm having a very weird problem with GROMACS 4.6.6: I am currently testing out GPU capabilities and was trying to