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Bug #561

power6 kernels are broken

Added by Christoph Junghans about 9 years ago. Updated about 9 years ago.

Status:
Closed
Priority:
Normal
Category:
mdrun
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

I compiled the power6 kernels, but it seem like the particles do not interact.
I think we should apply commit de219890b304bc036f133ccaff9ba377a1d08976 also in the power6 dir:

--- a/src/gmxlib/nonbonded/nb_kernel_power6/nb_kernel_f77sync.c
+++ b/src/gmxlib/nonbonded/nb_kernel_power6/nb_kernel_f77sync.c
@ -37,6 +37,7 @
#include <pthread.h>
#endif

+#include <stdio.h>

/*! \brief Lock innerloop mutex and read lists indices
  *
@ -86,6 +87,8 @ F77_FUNC(f77kernelsync,F77KERNELSYNC)
int * nn1) {
int n0,n1;


#ifdef HAVE_PTHREADS_H
pthread_mutex_lock((pthread_mutex_t *)mtx);
#endif
@ -96,7 +99,6 @ F77_FUNC(f77kernelsync,F77KERNELSYNC)
#ifdef HAVE_PTHREADS_H
pthread_mutex_unlock((pthread_mutex_t *)mtx);
#endif
- n0 = *count;
*nn0 = n0;
*nn1 = n1;
}

This works for me, but I would also rename f77kernelsync to pwr6kernelsync avoid a name clash with f77 kernels, if we allow f77 together with pwr6 at some point.

@Eric: Is this fine with you?

History

#1 Updated by Erik Lindahl about 9 years ago

Yes, that sounds great. Sorry for missing that when I did the commit for Fortran!

#2 Updated by Christoph Junghans about 9 years ago

Fixed in commit ac221a6425b5f5a293e7f439c8bebf3b7d886047

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