fix a small memory leak in SHAKE setup (fd813085) · Commits · 郑智淋 / lammps

src/RIGID/fix_shake.cpp

+8 −5

Original line number	Diff line number	Diff line
		@@ -955,7 +955,7 @@ void FixShake::find_clusters()

		// -----------------------------------------------------
		// set shake_flag,shake_atom,shake_type for non-central atoms
		// requires communication for off-proc atoms
		// requires rendezvous communication for off-proc atoms
		// -----------------------------------------------------

		shake_info(npartner,partner_tag,partner_shake);
		@@ -964,6 +964,9 @@ void FixShake::find_clusters()
		// free local memory
		// -----------------------------------------------------

		memory->destroy(atomIDs);
		memory->destroy(procowner);

		memory->destroy(npartner);
		memory->destroy(nshake);
		memory->destroy(partner_tag);
		@@ -1390,24 +1393,24 @@ int FixShake::rendezvous_ids(int n, char *inbuf,
		FixShake fsptr = (FixShake ) ptr;
		Memory *memory = fsptr->memory;

		int *procowner;
		tagint *atomIDs;
		int *procowner;

		memory->create(procowner,n,"special:procowner");
		memory->create(atomIDs,n,"special:atomIDs");
		memory->create(procowner,n,"special:procowner");

		IDRvous in = (IDRvous ) inbuf;

		for (int i = 0; i < n; i++) {
		procowner[i] = in[i].me;
		atomIDs[i] = in[i].atomID;
		procowner[i] = in[i].me;
		}

		// store rendezvous data in FixShake class

		fsptr->nrvous = n;
		fsptr->procowner = procowner;
		fsptr->atomIDs = atomIDs;
		fsptr->procowner = procowner;

		// flag = 0: no 2nd irregular comm needed in comm->rendezvous