AMBER Archive (2007)

Subject: RE: AMBER: amber9 parallel compile problem

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Oct 31 2007 - 11:36:00 CST

Hi Chris

> /usr/common/mpich-1.2.5.2/lib/libmpich.a(p4_procgroup.o)(.text
+0x12e): In
> function `read_procgroup':
> : undefined reference to `__ctype_b'
> make[1]: *** [sander.MPI] Error 1

This looks to be a problem with your mpich installation. I suspect it is
missing a library somewhere that is needed by mpich. Firstly did you
recompile mpich with the same Fortran compiler you are using to compiler
Amber? If not then you need to do this first of all.

The above error typically occurs when the library you are trying to link to
was built for a different version of Linux than the one you are currently
on. So I suspect that whoever installed mpich on this machine did not do it
properly. Or subsequently upgraded the operating system without recompiling
mpich.

Recompile mpich and then try make clean and compiling amber again.

All the best
Ross

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|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
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