AW: problems compiling NAMD with mpicxx from mvapich2

From: Norman Geist (
Date: Mon Jan 26 2015 - 02:36:17 CST

Actually your wrapper „mpicxx“ should already pass through the correct link environment. Sometimes they are ASCII and can be edited. You might have changed the location of the mpi installation since you installed it or miss some environment variables the leads your mpi installation to its home.


Norman Geist.


Von: [] Im Auftrag von Jose Borreguero
Gesendet: Samstag, 24. Januar 2015 18:49
An: NAMD-l
Betreff: namd-l: problems compiling NAMD with mpicxx from mvapich2


Dear NAMD gurus,

This is my problem when compiling NAMD on a Linux cluster:

module load mvapich2-x86_64

cd charm-6.4.0/
env MPICXX=mpicxx ./build charm++ mpi-linux-amd64 --with-production

checking "C++ compiler as"... "mpicxx -m64 -fPIC -DCMK_GFORTRAN -optimize -production "
checking "whether C++ compiler works"... "ok"
checking "C++ linker as"... "mpicxx -m64 -fPIC -DCMK_GFORTRAN "
checking "whether linker works"... "no"
Cannot link C++ programs with mpicxx -m64 -fPIC -DCMK_GFORTRAN

The final lines of charm-6.4.0/mpi-linux-amd64/tmp/charmconfig.out:

### whether linker works
#include <stdio.h>
int main() {
    printf("Hello, world!\n");
    return 0;
mpicxx -m64 -fPIC -DCMK_GFORTRAN -I../include -I. -c test.cpp -o test.o
mpicxx -m64 -fPIC -DCMK_GFORTRAN -o testlink test.o
/usr/bin/ld: cannot find -lmpichcxx
collect2: ld returned 1 exit status

It would seem a problem of not finding the mpichcxx libraries, however:
$> ls /usr/lib64/mvapich2/lib/libmpichcxx*
/usr/lib64/mvapich2/lib/ /usr/lib64/mvapich2/lib/

Please, any help is much appreciated.

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