[gmx-users] Gromacs and Radeon Nano

Szilárd Páll pall.szilard at gmail.com
Fri Feb 10 16:06:21 CET 2017

PS: A promising path for AMD hardware is the ROCm stack
(http://gpuopen.com/compute-product/rocm/) which is the new fully open
source compute driver/runtime/compiler suite. OpenCL support is very
preliminary in v1.4 and I have not tried it myself yet, so I can not
recommend it, but hopefully soon that'll change. In case if you or
anyone else does have experience with it, please let us know!


On Fri, Feb 10, 2017 at 3:52 PM, Szilárd Páll <pall.szilard at gmail.com> wrote:
> Hi,
> I have no knowledge of the instability/crash with fglrx; with
> AMDGPU-PRO I have seen strange hangs which *seem* to be kernel-space
> issues because the machine becomes unresponsive for second to minutes
> (but it typically recovers). However, I had no time to investigate
> Given that the extensive testing I've done was on fglrx, I'd think
> that's still the most robust choice -- though sadly unsupported and
> outdated (not even sure what's the last kernel it works with?).
> The fact that your GPU is listed twice is not something I've seen
> myself before, but it's not unreasonable if you have both the mesa and
> the amdgpu-pro OpenCL stacks installed. The former is the open source
> graphics stack + OpenCL compiler which is not fully stable for GROMACS
> use yet (mesa 13.1.x work better, but still not production ready)
> When it comes to AMDGPU-PRO issues, I'd strongly recommend trying to
> reach out to AMD support and voice your feedback. Do us know if you
> found a solution!
> Cheers,
> --
> Szilárd
> On Wed, Feb 8, 2017 at 2:23 AM,  <melichercik at leaf.nh.cas.cz> wrote:
>> Hi people,
>> I have computer with 2x Xeon E5-2660 with Radeon Fury (as someone here recomended it as quite decent card (not the best one ;-) of course ). System is debian (testing). I have previously R9 280X instead and it worked without problem. After I replaced less power hungry Radeon Fury, it freezes the machine from time to time (but at least one a day) or in better case segfaults gromacs. I tryied latest fglrx (15.12) and all amdgpu-pro (16.40, 16.50 and 16.60) and gromacs (I think) all versions from 5.1 to 2016.2. With exception of latest Amdgpu-pro 16.60 which totaly failed in runing OpenCL-enabled GMX, it gets better in time, but it still crashes. So do have someone any idea wich could help?
>> Thanks in advance.
>> Best,
>> Milan
>> PS: PSU is EVGA Supernova B2 750 W, which should be quite enough (and more hungry R9 280X worked) and it should be quite good PSU (by Tier2 of Tom's Hardware list)
>> PS2: maybe it is not important, but I think I have tested/simulated only .tpr created in older versions of GMX than 2016.x (which I used mostly for simulating)
>> PS3: why is all Radeon GPU using amdgpu-pro detected twice? ()see below) (at least I have tested with Radeon Nano and RX460 cards). And the 2nd one doesn't work, I have to use -gpu_id parameter.
>> Hardware detected:
>>   CPU info:
>>     Vendor: Intel
>>     Brand:  Intel(R) Xeon(R) CPU E5-2660 0 @ 2.20GHz
>>     SIMD instructions most likely to fit this hardware: AVX_256
>>     SIMD instructions selected at GROMACS compile time: AVX_256
>>   Hardware topology: Full, with devices
>>   GPU info:
>>     Number of GPUs detected: 2
>>     #0: name: Fiji, vendor: Advanced Micro Devices, Inc., device version: OpenCL 1.2 AMD-APP (2236.5), stat: compatible
>>     #1: name: AMD FIJI (DRM 3.8.0 / 4.9.0-1-amd64, LLVM 3.9.1), vendor: AMD, device version: OpenCL 1.1 Mesa 13.0.3, stat: compatible
>> --
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