USER-OMP problem with #include commgrid.h in 13May14 release

The src/USER-OMP msm_cg_omp.cpp file requests the commgrid.h header file.

However, the commgrid.h file was modified and changed to the name gridcomm.h in the 13May14 release.

(The non-OMP make compiles just fine.)

After fixing the include statement, the make creates an omp executable.

The simple patch is:

— msm_cg_omp.cpp 2014-05-21 08:31:39.000000000 -0500

+++ fixed_msm_cg_omp.cpp 2014-05-21 08:25:43.000000000 -0500

@@ -24,7 +24,7 @@

#include “string.h”

#include “atom.h”

-#include “commgrid.h”

+#include “gridcomm.h”

#include “domain.h”

#include “error.h”

#include “force.h”

The problem indicates that no regression test was performed for an OMP executable,

I wonder if fixing the include name in the file is enough.

Could you please advise?

Kent

Kent Milfeld

Texas Advanced Computing Center (TACC) www.tacc.utexas.edu

Powering Discoveries That Change The World

The University of Texas at Austin

Use appropriate subject: XSEDE, IXPug, DellXL, OpenMP for priority.

The src/USER-OMP msm_cg_omp.cpp file requests the commgrid.h header file.

However, the commgrid.h file was modified and changed to the name
gridcomm.h in the 13May14 release.

(The non-OMP make compiles just fine.)

After fixing the include statement, the make creates an omp executable.

The simple patch is:

--- msm_cg_omp.cpp 2014-05-21 08:31:39.000000000 -0500

+++ fixed_msm_cg_omp.cpp 2014-05-21 08:25:43.000000000 -0500

@@ -24,7 +24,7 @@

#include "string.h"

  #include "atom.h"

-#include "commgrid.h"

+#include "gridcomm.h"

#include "domain.h"

#include "error.h"

#include "force.h"

The problem indicates that no regression test was performed for an OMP
executable,

​testing *is* done, but in LAMMPS-ICMS, where i maintain the USER-OMP
package. however, i have no control over changes that are done in the
upstream version before i get a chance to review them.

I wonder if fixing the include name in the file is enough.

​yes, it is.

if you care about providing working USER-OMP code, i suggest you use the
LAMMPS-ICMS version. since i use that code base to build a large variety of
pre-compiled LAMMPS packages, it is tested to compile correctly at the very
least.​

​axel.​

It’s already fixed - will be in the next patch.

Steve