embpar cannot be compiled in ATAT.

Alloy Theoretic Automated Toolkit (ATAT)
1

Hi Alex,

I am a new user of mcsqs and I would like to use the parallel function in mcsqs. As discussed in thread , I need to compile embpar.
But the problem is that it cannot be compiled successfully with simply "make embpar" and got an error

   g++   -DSLOWENUMALGO    embpar.cc  -lm -o embpar
   embpar.cc:2:17: error: mpi.h: No such file or directory.

Seems that the mpi.h file cannot be found during the compilation. This is really weird because I do have an openmpi in my cluster (I have used it in many other parallel codes and it works well).
So how to solve my problem?
Here is some information of my environment:
I am using CentOS 6 and ATAT3.18. For mpi, I am using openmpi-1.6.3, gcc version.
BTW, I do not install the mpi in my account, it was preinstalled by the cluster admin. I just loaded it as a preinstalled module.

Hope you can help me with the issue. Thanks!

Best
Aaron

2

Uncomment the second line of:

#for MPI: limited implementation at this point
#CXX=mpiCC -DATAT_MPI

You make need to adjust mpiCC to the appropriate command for your system (this command should set the proper search path for stardard headers such mpi.h).
BTW, instead of embpar, you can use the ATAT commands

splitjob

or

dispatch

which work better.
(dispatch does what embpar was supposed to do in a more portable way).

3

Thanks very much sir.
I just realized that I made such a stupid mistake while compiling…
It works well now.
Merci beaucoup.