Re: [gmx-users] how can i install sse4.1 and avx_256

2014-10-23 Thread Justin Lemkul
On 10/23/14 6:02 AM, Yaser Hosseini wrote: hi Reading file md.tpr, VERSION 4.6.5 (single precision) Using 4 MPI threads Compiled acceleration: SSE4.1 (Gromacs could use AVX_256 on this machine, which is better) how can i use this features for better mdrun speed. The level of optimization i

Re: [gmx-users] how can i install sse4.1 and avx_256

2014-10-23 Thread Milan Melicherčík
Hello, you need to recompile Gromacs with -DGMX_SIMD=AVX_256 flag. Or not set it and cmake should detect and use the best version automatically. http://www.gromacs.org/Documentation/Installation_Instructions_4.6 Cheers. Milan On Thursday 23 October 2014 13:32:31 Yaser Hosseini wrote: > hi > >

[gmx-users] how can i install sse4.1 and avx_256

2014-10-23 Thread Yaser Hosseini
hi Reading file md.tpr, VERSION 4.6.5 (single precision) Using 4 MPI threads Compiled acceleration: SSE4.1 (Gromacs could use AVX_256 on this machine, which is better) how can i use this features for better mdrun speed. thanke you. -- Gromacs Users mailing list * Please search the archive at