[gmx-users] Failed tests, need help in troubleshooting

[Cameron Fletcher (CF)]

Hi Szilárd,

I am using a Intel Xeon W-2145,
GPU: Nvidia RTX 2080TI and Nvidia P400
	

cmake log:
https://raw.githubusercontent.com/circumflex-cf/logs/master/cmake_2019-04-23.log

make log:
https://raw.githubusercontent.com/circumflex-cf/logs/master/make_2019-04-23.log

make check logs:
https://raw.githubusercontent.com/circumflex-cf/logs/master/makecheck_2019-04-23.log

Also here is one the regression tests that failed.
https://github.com/circumflex-cf/logs/tree/master/orientation-restraints


--
CF

On 23/04/19 5:39 PM, Szilárd Páll wrote:
> Hi Cameron,
> 
> I meant any log file from a run with the hardware + software combination.
> The log file contains hardware and software detection output that is useful
> in identifying issues.
> 
> Do the unit tests pass?
> 
> --
> Szilárd
> 
> 
> On Tue, Apr 23, 2019 at 12:38 PM Cameron Fletcher (CF) <
> circumflex at disroot.org> wrote:
> 
>> Hello Szilárd,
>>
>> Do you mean log files created in each regression test?
>>
>> On 23/04/19 3:43 PM, Szilárd Páll wrote:
>>> What is the hardware you are running this on? Can you share a log file,
>>> please?
>>> --
>>> Szilárd
>>>
>>>
>>> On Mon, Apr 22, 2019 at 9:24 AM Cameron Fletcher (CF) <
>>> circumflex at disroot.org> wrote:
>>>
>>>> Hello,
>>>>
>>>> I have installed gromacs 2019.1 on CentOS 7.6 .
>>>> While running regressions tests 2019.1 certain tests are failing with
>>>> errors.
>>>>
>>>> I have attached list of some failed tests.
>>>>
>>>>
>>>> Since I am using gcc compilers and openmpi from openhpc repositories
>>>> the below command was used for cmake.
>>>>
>>>>         cmake ..
>>>> -DCMAKE_C_COMPILER=/opt/ohpc/pub/compiler/gcc/7.3.0/bin/gcc
>>>> -DCMAKE_CXX_COMPILER=/opt/ohpc/pub/compiler/gcc/7.3.0/bin/c++
>>>> -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=on -DGMX_GPU=on -DGMX_USE_OPENCL=on
>>>>
>>>> cmake version: 3.13.4
>>>> gcc version: 7.3.0
>>>> openmpi3 version: 3.1.0
>>>>
>>>>
>>>> What should I be doing further for more troubleshooting.
>>>>
>>>>
>>>> --
>>>> CF
>>>>
>>>> --
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>>
>> --
>> CF
>> --
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