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Fixed calculation of max and min number of PME-only nodes. Fixes #787.
author
Carsten Kutzner
<ckutzne@gwdg.de>
Fri, 29 Jul 2011 08:41:25 +0000
(10:41 +0200)
committer
Carsten Kutzner
<ckutzne@gwdg.de>
Fri, 29 Jul 2011 08:41:25 +0000
(10:41 +0200)
src/tools/gmx_tune_pme.c
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diff --git
a/src/tools/gmx_tune_pme.c
b/src/tools/gmx_tune_pme.c
index f22d3080c3461ed0af5c49cbf9bdc5710c20a0ce..8549bb32d5f85d0dd4cb324e42a63cff08c39ea2 100644
(file)
--- a/
src/tools/gmx_tune_pme.c
+++ b/
src/tools/gmx_tune_pme.c
@@
-2345,8
+2345,9
@@
int gmx_tune_pme(int argc,char *argv[])
fs, bench_nsteps, fnm, NFILE, sim_part, presteps,
asize(pa),pa);
- /* Determine max and min number of PME nodes to test: */
- if ((nnodes > 2) && (npme_fixed >= -1))
+ /* Determine the maximum and minimum number of PME nodes to test,
+ * the actual list of settings is build in do_the_tests(). */
+ if ((nnodes > 2) && (npme_fixed < -1))
{
maxPMEnodes = floor(maxPMEfraction*nnodes);
minPMEnodes = max(floor(minPMEfraction*nnodes), 0);