Problem finding the MPI libraries needed.

[haltari]

TLDR: I cannot complete the quick compilation instructions because the MPI libraries I have installed are not the ones that Plumed expects, and the documentation is not clear what library files need to be installed. Ubuntu 20.04.4 LTS with 5.15.0-52-generic kernel.

I am trying to follow the instructions for building Plumed from sources, and am having problems with the statement under "Suggested software" to install the MPI library. I have installed the following packages from apt: mpi-default-bin mpi-default-dev openmpi-bin openmpi-common openmpi-doc. When I run make test, the tests fail because they are not finding the MPI functions. For example, here are the last two failures (there are probably several dozen identical errors):

/usr/bin/ld: /home/BU/haltari1/tmp/plumed2/src/tools/Communicator.o: in function `PLMD::Communicator::Barrier() const':
Communicator.cpp:(.text+0x3fe): undefined reference to `MPI_Barrier'
/usr/bin/ld: /home/BU/haltari1/tmp/plumed2/src/tools/Communicator.o: in function `PLMD::Communicator::Split(int, int, PLMD::Communicator&) const':
Communicator.cpp:(.text+0x4ad): undefined reference to `MPI_Comm_split'

Then, when I try to run plumed help, I get similar errors from not finding the MPI functions:

terminate called after throwing an instance of 'PLMD::Plumed::ExceptionError'
  what():  
+++ PLUMED error
+++ at Communicator.cpp:91, function void PLMD::Communicator::Set_comm(void*)
+++ message follows +++
you are trying to use an MPI function, but PLUMED has been compiled without MPI support
[ens-93rj772-d:215658] *** Process received signal ***
[ens-93rj772-d:215658] Signal: Aborted (6)
[ens-93rj772-d:215658] Signal code:  (-6)
[ens-93rj772-d:215658] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x43090)[0x7f5de4cd3090]
[ens-93rj772-d:215658] [ 1] /lib/x86_64-linux-gnu/libc.so.6(gsignal+0xcb)[0x7f5de4cd300b]
[ens-93rj772-d:215658] [ 2] /lib/x86_64-linux-gnu/libc.so.6(abort+0x12b)[0x7f5de4cb2859]
[ens-93rj772-d:215658] [ 3] /lib/x86_64-linux-gnu/libstdc++.so.6(+0xa1a31)[0x7f5de4f40a31]
[ens-93rj772-d:215658] [ 4] /lib/x86_64-linux-gnu/libstdc++.so.6(+0xad5dc)[0x7f5de4f4c5dc]
[ens-93rj772-d:215658] [ 5] /lib/x86_64-linux-gnu/libstdc++.so.6(+0xad647)[0x7f5de4f4c647]
[ens-93rj772-d:215658] [ 6] /lib/x86_64-linux-gnu/libstdc++.so.6(__cxa_rethrow+0x4d)[0x7f5de4f4c93d]
[ens-93rj772-d:215658] [ 7] ./plumed(+0xf5c9)[0x555ac4a0f5c9]
[ens-93rj772-d:215658] [ 8] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf3)[0x7f5de4cb4083]
[ens-93rj772-d:215658] [ 9] ./plumed(+0xf84e)[0x555ac4a0f84e]
[ens-93rj772-d:215658] *** End of error message ***
Aborted (core dumped)

Can I get some advice to get a proper MPI installation? Thanks.

[colematt]

Watching this discussion, am having similar problems.

[GiovanniBussi]

It looks like:

• src/main/main.cpp was compiled assuming libraries available
• other source code was compiled assuming libraries are not available

Possibly you didn't type make clean after having installed the MPI libraries?

Please do make clean and compile plumed again.

Let us know if this solves the issue