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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10167 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-28 19:36:17 +00:00
parent 1cda7f63aa
commit 3428df4c4b
6 changed files with 29 additions and 35 deletions
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24
src/write_data.cpp
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@ -286,8 +286,8 @@ void WriteData::atoms()
MPI_Allreduce(&sendrow,&maxrow,1,MPI_INT,MPI_MAX,world);
double **buf;
if (me == 0) memory->create(buf,maxrow,ncol,"write_data:buf");
else memory->create(buf,sendrow,ncol,"write_data:buf");
if (me == 0) memory->create(buf,MAX(1,maxrow),ncol,"write_data:buf");
else memory->create(buf,MAX(1,sendrow),ncol,"write_data:buf");
// pack my atom data into buf
@ -339,8 +339,8 @@ void WriteData::velocities()
MPI_Allreduce(&sendrow,&maxrow,1,MPI_INT,MPI_MAX,world);
double **buf;
if (me == 0) memory->create(buf,maxrow,ncol,"write_data:buf");
else memory->create(buf,sendrow,ncol,"write_data:buf");
if (me == 0) memory->create(buf,MAX(1,maxrow),ncol,"write_data:buf");
else memory->create(buf,MAX(1,sendrow),ncol,"write_data:buf");
// pack my velocity data into buf
@ -390,8 +390,8 @@ void WriteData::bonds()
MPI_Allreduce(&sendrow,&maxrow,1,MPI_INT,MPI_MAX,world);
int **buf;
if (me == 0) memory->create(buf,maxrow,ncol,"write_data:buf");
else memory->create(buf,sendrow,ncol,"write_data:buf");
if (me == 0) memory->create(buf,MAX(1,maxrow),ncol,"write_data:buf");
else memory->create(buf,MAX(1,sendrow),ncol,"write_data:buf");
// pack my bond data into buf
@ -443,8 +443,8 @@ void WriteData::angles()
MPI_Allreduce(&sendrow,&maxrow,1,MPI_INT,MPI_MAX,world);
int **buf;
if (me == 0) memory->create(buf,maxrow,ncol,"write_data:buf");
else memory->create(buf,sendrow,ncol,"write_data:buf");
if (me == 0) memory->create(buf,MAX(1,maxrow),ncol,"write_data:buf");
else memory->create(buf,MAX(1,sendrow),ncol,"write_data:buf");
// pack my angle data into buf
@ -514,8 +514,8 @@ void WriteData::dihedrals()
MPI_Allreduce(&sendrow,&maxrow,1,MPI_INT,MPI_MAX,world);
int **buf;
if (me == 0) memory->create(buf,maxrow,ncol,"write_data:buf");
else memory->create(buf,sendrow,ncol,"write_data:buf");
if (me == 0) memory->create(buf,MAX(1,maxrow),ncol,"write_data:buf");
else memory->create(buf,MAX(1,sendrow),ncol,"write_data:buf");
// pack my dihedral data into buf
@ -585,8 +585,8 @@ void WriteData::impropers()
MPI_Allreduce(&sendrow,&maxrow,1,MPI_INT,MPI_MAX,world);
int **buf;
if (me == 0) memory->create(buf,maxrow,ncol,"write_data:buf");
else memory->create(buf,sendrow,ncol,"write_data:buf");
if (me == 0) memory->create(buf,MAX(1,maxrow),ncol,"write_data:buf");
else memory->create(buf,MAX(1,sendrow),ncol,"write_data:buf");
// pack my improper data into buf