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bug fix for new fix shake redezvous comm

This commit is contained in:
Steve Plimpton 2019-03-25 10:20:32 -06:00 committed by Axel Kohlmeyer
parent 62045a9c52
commit 0bf6b91576
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GPG Key ID: D9B44E93BF0C375A
2 changed files with 33 additions and 10 deletions
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2
src/RIGID/fix_shake.h
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@ -159,8 +159,8 @@ class FixShake : public Fix {
struct ShakeInfo {
tagint atomID;
tagint shake_atom[4];
int shake_flag;
int shake_atom[4];
int shake_type[3];
};

41
src/comm.cpp
View File

@ -810,7 +810,12 @@ rendezvous_irregular(int n, char *inbuf, int insize, int inorder, int *procs,
procs_rvous,outbuf_rvous,ptr);
if (flag != 1) memory->sfree(inbuf_rvous); // outbuf_rvous = inbuf_vous
if (flag == 0) return 0; // all nout_rvous are 0, no 2nd comm stage
if (flag == 0) {
if (statflag) rendezvous_stats(n,0,nrvous,nrvous_out,insize,outsize,
(bigint) nrvous_out*sizeof(int) +
irregular1_bytes);
return 0; // all nout_rvous are 0, no 2nd comm stage
}
// irregular comm of outbuf from rendezvous decomp back to caller decomp
// caller will free outbuf
@ -952,9 +957,17 @@ rendezvous_all2all(int n, char *inbuf, int insize, int inorder, int *procs,
memory->destroy(recvcount);
memory->destroy(sdispls);
memory->destroy(rdispls);
if (statflag) rendezvous_stats(n,0,nrvous,nrvous_out,insize,outsize,
(bigint) nrvous_out*sizeof(int) +
4*nprocs*sizeof(int) + all2all1_bytes);
return 0; // all nout_rvous are 0, no 2nd irregular
}
// create procs and outbuf for All2all if necesary
if (!outorder) {
@ -1102,10 +1115,15 @@ void Comm::rendezvous_stats(int n, int nout, int nrvous, int nrvous_out,
fprintf(screen," input data (MB): %g %g %g %g\n",
1.0*size_in_all/mbytes,1.0*size_in_all/nprocs/mbytes,
1.0*size_in_max/mbytes,1.0*size_in_min/mbytes);
fprintf(screen," output datum count: "
BIGINT_FORMAT " %g " BIGINT_FORMAT " " BIGINT_FORMAT "\n",
size_out_all/outsize,1.0*size_out_all/nprocs/outsize,
size_out_max/outsize,size_out_min/outsize);
if (outsize)
fprintf(screen," output datum count: "
BIGINT_FORMAT " %g " BIGINT_FORMAT " " BIGINT_FORMAT "\n",
size_out_all/outsize,1.0*size_out_all/nprocs/outsize,
size_out_max/outsize,size_out_min/outsize);
else
fprintf(screen," output datum count: "
BIGINT_FORMAT " %g " BIGINT_FORMAT " " BIGINT_FORMAT "\n",
0,0.0,0,0);
fprintf(screen," output data (MB): %g %g %g %g\n",
1.0*size_out_all/mbytes,1.0*size_out_all/nprocs/mbytes,
1.0*size_out_max/mbytes,1.0*size_out_min/mbytes);
@ -1116,10 +1134,15 @@ void Comm::rendezvous_stats(int n, int nout, int nrvous, int nrvous_out,
fprintf(screen," input rvous data (MB): %g %g %g %g\n",
1.0*size_inrvous_all/mbytes,1.0*size_inrvous_all/nprocs/mbytes,
1.0*size_inrvous_max/mbytes,1.0*size_inrvous_min/mbytes);
fprintf(screen," output rvous datum count: "
BIGINT_FORMAT " %g " BIGINT_FORMAT " " BIGINT_FORMAT "\n",
size_outrvous_all/outsize,1.0*size_outrvous_all/nprocs/outsize,
size_outrvous_max/outsize,size_outrvous_min/outsize);
if (outsize)
fprintf(screen," output rvous datum count: "
BIGINT_FORMAT " %g " BIGINT_FORMAT " " BIGINT_FORMAT "\n",
size_outrvous_all/outsize,1.0*size_outrvous_all/nprocs/outsize,
size_outrvous_max/outsize,size_outrvous_min/outsize);
else
fprintf(screen," output rvous datum count: "
BIGINT_FORMAT " %g " BIGINT_FORMAT " " BIGINT_FORMAT "\n",
0,0.0,0,0);
fprintf(screen," output rvous data (MB): %g %g %g %g\n",
1.0*size_outrvous_all/mbytes,1.0*size_outrvous_all/nprocs/mbytes,
1.0*size_outrvous_max/mbytes,1.0*size_outrvous_min/mbytes);