CHARMM Development Project Forums User Discussion & Questions Installation and Testing /usr/bin/ld: cannot find -lmpi for c30b1 install

We are trying to install charmm c30b1 on a 32 dual-proc linux cluster. We are running RH 9.0 and OSCAR 3.0

We have tried both paths to our lam /include & /lib/lam files and still get the following error message:

install.com> The CHARMM executable
/home/c30b1/exec/gnu/charmm is NOT produced.
Check /home/c30b1/build/gnu/gnu.log
for installation errors.

then, in the log i see:

/usr/bin/ld: cannot find -lmpi
collect2: ld returned 1 exit status
make: *** [/home/c30b1/exec/gnu/charmm] Error 1

A few questions--

[1] What arguments did you use for install.com?

[2] What do you mean by "both" paths?

[3] How is MSGLIB defined in build/gnu/Makefile?

[4] Is there an 'mpi' subdir in build/gnu? If yes, what's in it?

Try
./install M MPICH

Thank you both for your help . Part of the problem was that I wasn't doing the install (a system administrator was) and therefore couldn't answer all your questions. Here's what ended up working (once I got administrator access):

switcher mpi = lam-7.0
./install.com gnu xxlarge M
/var/lib/systemimager/images/oscarimage/opt/lam-7.0/include
/var/lib/systemimager/images/oscarimage/opt/lam-7.0/lib/lam

That's all there was to it. I think the "two lams" the admin was referring to were /opt/lam-7.0 and /opt/lam-with-gm-7.0. Also, he had mpi set to mpich.

Thanks again,

Jim Sullivan

It may be better to use

./install.com gnu xxlarge M lammpi

I actually got a similar error on a Scyld framework compiling with Intel Fortran 80 (ifc80/ifort) and MPICH:

./install.com gnu xxlarge M IFC

/usr/bin/ld: cannot find -lPEPCF90
make: *** [/usr/local/share/charmm/c30b1/exec/gnu/charmm] Error 1

Make sure that before running CHARMM's install.com, mpif77 and mpicc
point to whatever you think they should. With your setup, I guess that the output from:

which mpif77

should show:

/var/lib/systemimager/images/oscarimage/opt/lam-7.0/bin/mpif77

Also, make sure that you specify what type of MPI library you are using:
- for MPICH, run install.com ... M MPICH
- for recent (7.0.x) LAM-MPI, run install.com ... M (no LAMMPI!)

In reply to:

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/usr/bin/ld: cannot find -lPEPCF90

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I answered this also in another thread. Replace --lPEPCF90 with -Vaxlib.