For the parallel build, I can't get RC5 to get past the initial
run_cmake phase with Intel 17.0.4 + Intel MPI + cmake 3.13.2:
```
-- Could NOT find MPI_C (missing: MPI_mpigi_LIBRARY MPI_C_WORKS)
-- Could NOT find MPI_CXX (missing: MPI_mpigi_LIBRARY MPI_CXX_WORKS)
-- Could NOT find MPI_Fortran (missing: MPI_mpigi_LIBRARY MPI_Fortran_WORKS)
-- Could NOT find MPI (missing: MPI_C_FOUND MPI_CXX_FOUND MPI_Fortran_FOUND)
CMake Error at cmake/MPIConfig.cmake:12 (message):
You requested MPI, but the MPI C library was not found. Please install one
and try again, or set MPI_C_INCLUDE_PATH and MPI_C_LIBRARIES to point to
your MPI.
Call Stack (most recent call first):
CMakeLists.txt:118 (include)
```
Run after setting -DCOMILER to INTEL, and -DMPI and -DCUDA to TRUE.
CMakeOutput.log is quite monolithic and it's not immediately clear to
me what's going wrong (I can send it to interested parties if needed).
The serial cmake (-DMPI=FALSE -DCUDA=FALSE) + install works. Note that
the parallel cmake fails even after the serial cmake + install
succeeds. Legacy configure works normally.
-Dan
On Wed, Apr 29, 2020 at 7:43 AM David A Case <david.case.rutgers.edu> wrote:
>
>
> Hi everyone:
>
> The fifth release candidate tarballs can be found here:
>
> ambermd.org/downloads/AmberTools20.RC5.tar.bz2
> ambermd.org/downloads/Amber20.RC5.tar.bz2
>
> Please read chapter 2 in the doc/Amber20.pdf file, (now considerably
> expanded) and follow the instructions there.
>
> This is a pretty significant change from RC4: python3 is now the
> default, and searching conda libraries should be back to the way that
> things were in RC3: these wont be used unless you set
> USE_CONDA_LIBS=TRUE. RC5 also has the patches and recipe files needed
> to create a conda package for AmberTools.
>
> This release candidate works for me on MacOSX and Ubuntu18.04, but you
> might want to wait until Gerald has had a chance to run this on a ton of
> Linux distros. Results will be in the wiki:
>
> https://gitlab.ambermd.org/amber/amber/wikis/Singularity-reports
>
> (Gerald: if it helps, you can probably discontinue testing miniconda2.)
>
> I'd still like to find a volunteer to test on MacOSX.
>
> ...thx...dac
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
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Received on Wed Apr 29 2020 - 13:30:02 PDT
