bug fix for new fix shake redezvous comm (e04ab519) · Commits · 郑智淋 / lammps

src/RIGID/fix_shake.h

+1 −1

Original line number	Diff line number	Diff line
		@@ -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];
		};

src/comm.cpp

+32 −9

Original line number	Diff line number	Diff line
		@@ -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) +
		4nprocssizeof(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",
		1.0size_in_all/mbytes,1.0size_in_all/nprocs/mbytes,
		1.0size_in_max/mbytes,1.0size_in_min/mbytes);
		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",
		1.0size_out_all/mbytes,1.0size_out_all/nprocs/mbytes,
		1.0size_out_max/mbytes,1.0size_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",
		1.0size_inrvous_all/mbytes,1.0size_inrvous_all/nprocs/mbytes,
		1.0size_inrvous_max/mbytes,1.0size_inrvous_min/mbytes);
		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",
		1.0size_outrvous_all/mbytes,1.0size_outrvous_all/nprocs/mbytes,
		1.0size_outrvous_max/mbytes,1.0size_outrvous_min/mbytes);

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