[ESPResSo-users] espresso-4.0.0 failing to run when compiled with mpiicpc

[David Power]

I am able to compile are run pypresso with just fine using the gnu compilers and mpirun. However, after compiling with the intel compilers, I get the following error ImportError when I run pypresso with the intel version of mpirun:

ImportError: <path>/libcluster_analysis.so.4: undefined symbol: _ZN5boost3mpi6detail19packed_archive_recvEiiiRNS0_15packed_iarchiveER10MPI_Status

I checked the archive and a similar issue occurred when the user was loading in the wrong version of MPI (https://github.com/espressomd/espresso/issues/2023). But from what I can see from my cmake output, I am selecting the intel version of mpi and my libcluster_analysis.so was build against (see below). Any suggestions as to what is going wrong?

### cmake output ###

build-intel> ${CMAKE_PATH}/cmake ../.

-- Config file: <path>/espresso-4.0.0/myconfig.hpp

-- Found Cython version 0.26

-- NumPy ver. 1.15.1 found (include: /home/<user>/.local/lib/python2.7/site-packages/numpy/core/include)

-- Checking for module 'scafacos'

--   No package 'scafacos' found

-- Boost version: 1.68.0

-- Found the following Boost libraries:

--   mpi

--   serialization

--   filesystem

--   system

--   unit_test_framework

-- writing /home/<user>/Desktop/CompetitiveAdsorptionSimulations/espresso-4.0.0/build-intel/myconfig-sample.hpp

-- The following OPTIONAL packages have been found:

 * FFTW3

 * PkgConfig

 * GSL

 * Doxygen

 * Sphinx (required version >= 1.6.6)

-- The following REQUIRED packages have been found:

 * PythonInterp

 * Cython (required version >= 0.23)

 * NumPy

 * MPI

 * Boost (required version >= 1.65.0)

-- Configuring done

-- Generating done

-- Build files have been written to: /home/<user>/Desktop/CompetitiveAdsorptionSimulations/espresso-4.0.0/build-intel

### ldd output ###

ldd /usr/local/lib/libcluster_analysis.so.4

linux-vdso.so.1 (0x00007fffb39e3000)

libmpicxx.so.12 => /opt/intel//compilers_and_libraries_2019.0.117/linux/mpi/intel64/lib/libmpicxx.so.12 (0x00007f2f1eb32000)

libmpifort.so.12 => /opt/intel//compilers_and_libraries_2019.0.117/linux/mpi/intel64/lib/libmpifort.so.12 (0x00007f2f1e786000)

libmpi.so.12 => /opt/intel//compilers_and_libraries_2019.0.117/linux/mpi/intel64/lib/release/libmpi.so.12 (0x00007f2f1cf67000)

libdl.so.2 => /lib/x86_64-linux-gnu/libdl.so.2 (0x00007f2f1cd63000)

librt.so.1 => /lib/x86_64-linux-gnu/librt.so.1 (0x00007f2f1cb5b000)

libpthread.so.0 => /lib/x86_64-linux-gnu/libpthread.so.0 (0x00007f2f1c93c000)

libimf.so => /opt/intel/compilers_and_libraries_2019.0.117/linux/compiler/lib/intel64_lin/libimf.so (0x00007f2f1c39c000)

libsvml.so => /opt/intel/compilers_and_libraries_2019.0.117/linux/compiler/lib/intel64_lin/libsvml.so (0x00007f2f1a9f9000)

libirng.so => /opt/intel/compilers_and_libraries_2019.0.117/linux/compiler/lib/intel64_lin/libirng.so (0x00007f2f1a687000)

libstdc++.so.6 => /usr/lib/x86_64-linux-gnu/libstdc++.so.6 (0x00007f2f1a2f9000)

libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007f2f19f5b000)

libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007f2f19d43000)

libintlc.so.5 => /opt/intel/compilers_and_libraries_2019.0.117/linux/compiler/lib/intel64_lin/libintlc.so.5 (0x00007f2f19ad1000)

libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007f2f196e0000)

libfabric.so.1 => /usr/lib/x86_64-linux-gnu/libfabric.so.1 (0x00007f2f19433000)

/lib64/ld-linux-x86-64.so.2 (0x00007f2f1ef8d000)

librdmacm.so.1 => /usr/lib/x86_64-linux-gnu/librdmacm.so.1 (0x00007f2f1921d000)

libibverbs.so.1 => /usr/lib/x86_64-linux-gnu/libibverbs.so.1 (0x00007f2f19007000)

libpsm_infinipath.so.1 => /usr/lib/x86_64-linux-gnu/libpsm_infinipath.so.1 (0x00007f2f18dae000)

libnl-route-3.so.200 => /usr/lib/x86_64-linux-gnu/libnl-route-3.so.200 (0x00007f2f18b39000)

libnl-3.so.200 => /lib/x86_64-linux-gnu/libnl-3.so.200 (0x00007f2f18919000)

libinfinipath.so.4 => /usr/lib/x86_64-linux-gnu/libinfinipath.so.4 (0x00007f2f1870a000)

libuuid.so.1 => /lib/x86_64-linux-gnu/libuuid.so.1 (0x00007f2f18503000)