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

[Cameron Fletcher (CF)]

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