Re: [AMBER] Problems with GTX titan-X GPU

From: Ross Walker <>
Date: Mon, 23 May 2016 08:35:23 -0700

Hi Elvis,

Please try running the following validation suite:

untar it and edit run_test.x and set gpu_count to the number of GPUs in your system - likely 1 I am guessing. Change test_count to 10 and run_large_test to true. Then do:

nohup ./run_test.x >& run_test.log &

It will take around 24 hours to run - you can check if it is still running with nvidia-smi. After it is complete please send the contents of the GPU_0.log, GPU.large_0.log and run_test.log to the list and we should be able to help you debug things and determine if it is a bad GPU or something else.

All the best

> On May 21, 2016, at 03:19, Elvis Martis <> wrote:
> Hello,
> I have a strange problem running my simulations using Amber14 on GTX
> Titan-X. Jobs run for several minutes and then die without any error
> message, hence I am unable to figure out what is the problem. I keep
> monitoring the GPU temperature while a job is running and it never crosses
> 82C.
> This GPU card was obtained as gift from NVIDIA as seeding grant.
> Some information on my system.
> Amber version- Amber14 and AmberTools15 <all updates applied>
> CenOS release- centos-release-6-7.el6.centos.12.3.x86_64
> CUDA version- CUDA-7.5 (Driver version 352.79) <see attachments for
> complete system log generated using "nvidia-smi -q" nvidia.log and
> nvidia-smi.txt>
> CPU- Intel(R) Core(TM) i7-4790 CPU . 3.60GHz <see attached file cpu.log>
> Please let me know if any more information is needed to help me solve this
> problem.
> Thanks in advance for your Help.
> Regards
> *Elvis Martis* PhD Student, Bombay College of Pharmacy
> [image: photo] Website:
> <>
> Address: Kalina, Santa Cruz [E]
> <>
> <nvidia-smi.txt><nvidia.log><cpu.log>_______________________________________________
> AMBER mailing list

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Received on Mon May 23 2016 - 09:00:02 PDT
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