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

[Szilárd Páll]

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
> >>
> >> --
> >> Gromacs Users mailing list
> >>
> >> * Please search the archive at
> >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> >> posting!
> >>
> >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >>
> >> * For (un)subscribe requests visit
> >> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> >> send a mail to gmx-users-request at gromacs.org.
>
>
> --
> CF
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.