Re: [gmx-users] Using GROMACS with (AMD) OpenCL

2016-12-05 Thread Szilárd Páll
of Szilárd > Páll <pall.szil...@gmail.com> > Sent: Saturday, December 3, 2016 10:34:46 AM > To: Discussion list for GROMACS users > Subject: Re: [gmx-users] Using GROMACS with (AMD) OpenCL > > Hi Gregory, > > First of all, I'd strongly recommend you to start with

Re: [gmx-users] Using GROMACS with (AMD) OpenCL

2016-12-03 Thread Gregory Man Kai Poon
ROMACS users Subject: Re: [gmx-users] Using GROMACS with (AMD) OpenCL Hi Gregory, First of all, I'd strongly recommend you to start with the 2016 release, 2016.1 has been out for some time. This will be more robust and has a lot of performance improvement too especially on AMD (see

Re: [gmx-users] Using GROMACS with (AMD) OpenCL

2016-12-03 Thread Szilárd Páll
> Gregory > > > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se > <gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Szilárd Páll > <pall.szil...@gmail.com> > Sent: Friday, December 2, 2016 11:22:29 AM > To

Re: [gmx-users] Using GROMACS with (AMD) OpenCL

2016-12-03 Thread Gregory Man Kai Poon
behalf of Szilárd Páll <pall.szil...@gmail.com> Sent: Friday, December 2, 2016 11:22:29 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Using GROMACS with (AMD) OpenCL Hi, While for the pre-Polaris hardware Milan is right, for Polaris you *need* a AMDGPU-PRO (which only runs on n

Re: [gmx-users] Using GROMACS with (AMD) OpenCL

2016-12-02 Thread Szilárd Páll
Hi, While for the pre-Polaris hardware Milan is right, for Polaris you *need* a AMDGPU-PRO (which only runs on newer distros/kernels). The current AMDGPU-PRO from the OpenCL point of view is, AFAIK more or less the same compiler/runtime as the last catalyst release (15.12). One notable caveat

Re: [gmx-users] Using GROMACS with (AMD) OpenCL

2016-12-02 Thread melichercik
Hi Gregory, it is possible to use with both - Catalyst or AMDGPU, so you can choose. As there won't be (I think) any more updates for Catalyst, I'd prefer to use newer AMDGPU (PRO) choice. I don't have Polaris based card, only some 79xx/R9 280 (X) (uding Catalyst) and one Fury Nano (used

[gmx-users] Using GROMACS with (AMD) OpenCL

2016-12-02 Thread Gregory Man Kai Poon
Hello all, I would like to get some practical advice on setting up GROMACS with OpenCL using an AMD GPU (an RX 480 is what I happen to have). The AMD APP SDK indicates that it supports the Catalyst Omega 15.7 driver -- is that compatible to the proprietary Catalyst driver for Linux? Since