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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6477 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-06-29 14:52:56 +00:00
parent 85aa73903c
commit 37df8b5cf0
2 changed files with 10 additions and 14 deletions
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21
src/read_data.cpp
View File

@ -459,9 +459,8 @@ void ReadData::atoms()
if (eof == NULL) error->one("Unexpected end of data file"); if (eof == NULL) error->one("Unexpected end of data file");
m += strlen(&buffer[m]); m += strlen(&buffer[m]);
} }
buffer[m++] = '\n'; m++;
} }
buffer[m] = '\0';
MPI_Bcast(&m,1,MPI_INT,0,world); MPI_Bcast(&m,1,MPI_INT,0,world);
MPI_Bcast(buffer,m,MPI_CHAR,0,world); MPI_Bcast(buffer,m,MPI_CHAR,0,world);
@ -551,9 +550,8 @@ void ReadData::velocities()
if (eof == NULL) error->one("Unexpected end of data file"); if (eof == NULL) error->one("Unexpected end of data file");
m += strlen(&buffer[m]); m += strlen(&buffer[m]);
} }
buffer[m++] = '\n'; m++;
} }
buffer[m] = '\0';
MPI_Bcast(&m,1,MPI_INT,0,world); MPI_Bcast(&m,1,MPI_INT,0,world);
MPI_Bcast(buffer,m,MPI_CHAR,0,world); MPI_Bcast(buffer,m,MPI_CHAR,0,world);
@ -603,9 +601,8 @@ void ReadData::ellipsoids()
if (eof == NULL) error->one("Unexpected end of data file"); if (eof == NULL) error->one("Unexpected end of data file");
m += strlen(&buffer[m]); m += strlen(&buffer[m]);
} }
buffer[m++] = '\n'; m++;
} }
buffer[m] = '\0';
MPI_Bcast(&m,1,MPI_INT,0,world); MPI_Bcast(&m,1,MPI_INT,0,world);
MPI_Bcast(buffer,m,MPI_CHAR,0,world); MPI_Bcast(buffer,m,MPI_CHAR,0,world);
@ -643,9 +640,8 @@ void ReadData::bonds()
if (eof == NULL) error->one("Unexpected end of data file"); if (eof == NULL) error->one("Unexpected end of data file");
m += strlen(&buffer[m]); m += strlen(&buffer[m]);
} }
buffer[m++] = '\n'; m++;
} }
buffer[m] = '\0';
MPI_Bcast(&m,1,MPI_INT,0,world); MPI_Bcast(&m,1,MPI_INT,0,world);
MPI_Bcast(buffer,m,MPI_CHAR,0,world); MPI_Bcast(buffer,m,MPI_CHAR,0,world);
@ -689,9 +685,8 @@ void ReadData::angles()
if (eof == NULL) error->one("Unexpected end of data file"); if (eof == NULL) error->one("Unexpected end of data file");
m += strlen(&buffer[m]); m += strlen(&buffer[m]);
} }
buffer[m++] = '\n'; m++;
} }
buffer[m] = '\0';
MPI_Bcast(&m,1,MPI_INT,0,world); MPI_Bcast(&m,1,MPI_INT,0,world);
MPI_Bcast(buffer,m,MPI_CHAR,0,world); MPI_Bcast(buffer,m,MPI_CHAR,0,world);
@ -735,9 +730,8 @@ void ReadData::dihedrals()
if (eof == NULL) error->one("Unexpected end of data file"); if (eof == NULL) error->one("Unexpected end of data file");
m += strlen(&buffer[m]); m += strlen(&buffer[m]);
} }
buffer[m++] = '\n'; m++;
} }
buffer[m] = '\0';
MPI_Bcast(&m,1,MPI_INT,0,world); MPI_Bcast(&m,1,MPI_INT,0,world);
MPI_Bcast(buffer,m,MPI_CHAR,0,world); MPI_Bcast(buffer,m,MPI_CHAR,0,world);
@ -782,9 +776,8 @@ void ReadData::impropers()
if (eof == NULL) error->one("Unexpected end of data file"); if (eof == NULL) error->one("Unexpected end of data file");
m += strlen(&buffer[m]); m += strlen(&buffer[m]);
} }
buffer[m++] = '\n'; m++;
} }
buffer[m] = '\0';
MPI_Bcast(&m,1,MPI_INT,0,world); MPI_Bcast(&m,1,MPI_INT,0,world);
MPI_Bcast(buffer,m,MPI_CHAR,0,world); MPI_Bcast(buffer,m,MPI_CHAR,0,world);

3
src/thermo.cpp
View File

@ -370,6 +370,7 @@ bigint Thermo::lost_check()
if (ntotal == atom->natoms) return ntotal; if (ntotal == atom->natoms) return ntotal;
// if not checking or already warned, just return // if not checking or already warned, just return
// reset total atom count
if (lostflag == IGNORE) return ntotal; if (lostflag == IGNORE) return ntotal;
if (lostflag == WARN && lostbefore == 1) { if (lostflag == WARN && lostbefore == 1) {
@ -395,6 +396,8 @@ bigint Thermo::lost_check()
atom->natoms,ntotal); atom->natoms,ntotal);
if (me == 0) error->warning(str,0); if (me == 0) error->warning(str,0);
// reset total atom count
atom->natoms = ntotal; atom->natoms = ntotal;
lostbefore = 1; lostbefore = 1;
return ntotal; return ntotal;