Dear Amber Community,
I'm having trouble installing Amber20 + Amber Tools 21 on my machine. On
the same machine previously I had installed Amber20 +AmberTools20 but
due to some reasons not related to the functioning of Amber I needed to
reinstall Ubuntu. So at the same time I decided to put a newer version
of Amber Tools. I installed the same version of OS as I had before
(Ubuntu 20.04).
I manged to install serial version of Amber20, however problems emerged
when trying to install parallel version using open-mpi (prior to
instillation I performed: apt -y install openmpi-bin libopenmpi-dev) .
After modifying “-DMPI=TRUE” and performing “sudo ./run_cmake” I
initialized “sudo make install” and got the following error (the whole
output is given in attached file):
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
Any suggestion would be appreciated,
Antonija
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Received on Fri Mar 11 2022 - 04:30:02 PST
