AMBER Archive (2008)

Subject: Re: AMBER: Build a MPI NAB

From: David A. Case (case_at_scripps.edu)
Date: Mon Apr 07 2008 - 16:28:54 CDT

On Mon, Apr 07, 2008, Hu, Shaowen (JSC-SK)[USRA] wrote:
>
> I found I need your further help to build a MPI version of NAB. I
> encountered a same problem on three different platforms:
>
> mpicc -c -O3 -march=pentium4 -DCYGWIN -m32 -DMPI nblist.c
> nblist.c: In function `nblist':
> nblist.c:966: error: `mytaskid' undeclared (first use in this function)

oops. Try the following patch:

diff -u -r1.5 nblist.c
--- nblist.c 29 Mar 2008 19:49:02 -0000 1.5
+++ nblist.c 7 Apr 2008 21:01:05 -0000
@@ -950,8 +950,8 @@
          threadnum = mycol;
          numthreads = npcol;
       } else if (derivs > 0) {
- threadnum = mytaskid;
- numthreads = numtasks;
+ threadnum = get_mytaskid();
+ numthreads = get_numtasks();
       } else {
          threadnum = 0;
          numthreads = 1;
@@ -963,8 +963,8 @@
          threadnum = 0;
          numthreads = 1;
       } else {
- threadnum = mytaskid;
- numthreads = numtasks;
+ threadnum = get_mytaskid();
+ numthreads = get_numtasks();
       }
 
 #endif

Thanks for reporting this. Be sure to test vs. nonparallel, since the MPI
version is fairly new (as you can tell).

...regards...dac

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