From: Carsten Kutzner <ckutzne@gwdg.de>
Date: Fri, 14 Jun 2013 12:06:28 +0000 (+0200)
Subject: Fixed -npstring command line argument in g_tune_pme
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=5a342c7fb5331f2b4e91cea2b8ec2d50ebeca119;p=alexxy%2Fgromacs.git

Fixed -npstring command line argument in g_tune_pme

-npstring <str> is used to let g_tune_pme know how it should specify
the number of MPI processes to the mpirun command (with -np (default) or -n ).
You could provide it, but it actually -np was used in any case.

Change-Id: Ibb807b492dfb05c67628c18b7073092aa983f770
---

diff --git a/src/tools/gmx_tune_pme.c b/src/tools/gmx_tune_pme.c
index 0563cffa6a..d944f6d40e 100644
--- a/src/tools/gmx_tune_pme.c
+++ b/src/tools/gmx_tune_pme.c
@@ -2280,7 +2280,16 @@ int gmx_tune_pme(int argc, char *argv[])
     }
     else
     {
-        sprintf(bbuf, " -np %d ", nnodes);
+        /* This string will be used for MPI runs and will appear after the
+         * mpirun command. */
+        if (strcmp(procstring[0], "none") != 0)
+        {
+            sprintf(bbuf, " %s %d ", procstring[0], nnodes);
+        }
+        else
+        {
+            sprintf(bbuf, " ");
+        }
     }
 
     cmd_np = bbuf;