Unfortunaltely this also didn't help. I keep geting the same error:
collect2: error: ld returned 1 exit status
failure.
removing: _configtest.c _configtest.o
error: Cannot link MPI programs. Check your configuration!!!
make[2]: ***
[AmberTools/src/mpi4py-3.0.3/CMakeFiles/mpi4py.dir/build.make:276:
AmberTools/src/mpi4py-3.0.3/CMakeFiles/mpi4py-build/mpi4py-build.stamp]
Error 1
make[1]: *** [CMakeFiles/Makefile2:3757:
AmberTools/src/mpi4py-3.0.3/CMakeFiles/mpi4py.dir/all] Error 2
make: *** [Makefile:152: all] Error 2
Dana 11.03.2022 17:28, David A Case je napisao(la):
> On Fri, Mar 11, 2022, Antonija Tomić wrote:
>
>> Thank you for your suggestion but unfortunately this didn’t help.
>> After running “sudo ./run_cmake” with applied correction:
>>
>> # Assume this is Linux:
>>
>> cmake $AMBER_PREFIX/amber20_src \
>> -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber20 \
>> -DCOMPILER=GNU \
>> -DMPI=TRUE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \
>> -DDOWNLOAD_MINICONDA=TRUE -DMINICONDA_USE_PY3=TRUE \
>> -DDISABLE_TOOLS="mmpbsa_py" \
>> 2>&1 | tee cmake.log
>
> My fault here, I think. Try -DDISABLE_TOOLS="mpi4py-3.0.3"
>
> ....dac
>
>
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Received on Mon Mar 14 2022 - 03:00:03 PDT
