[gmx-users] error compiling gromacs with mpi

[K.A. Feenstra]

Ruben Martinez Buey wrote:
[...]
> Hi Martin,
> Thanks a lot for your mail. Anyway, If I unset env vars after
> compiling FFTW and I run configure I get the same error message,
> maybe because I set the prefix option (puts the libraries in 
> non-standard places, because I have not root permissions on this computer)
> Did you compile it as root??

I've compiled Gromacs on several machines (SGI, Linux/Intel, Linux/Alpha,
IBM/AIX) as regular user. The problem is it depends a lot on the way the
machine was installed. Sometimes there are mpi wrapper scripts for the
compiler (i.e. you use 'mpicc' in stead of 'cc'), but sometimes you need
to set the path to the mpi libs and headers in CFLAGS and LDFLAGS (as is
described in FAQ/howto). Trial and error... ;-{

Sometimes it helps to look in the configure.log (or config.log?) that
the configure script generates. There you will find the actual compile
command that failed. That might give you a clue to what went wrong and
how to fix it.


-- 
Groetjes,

Anton
  ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
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