202 |
|
|
203 |
|
void DumpWriter::writeCommentLine(std::ostream& os, Snapshot* s) { |
204 |
|
|
205 |
< |
double currentTime; |
205 |
> |
RealType currentTime; |
206 |
|
Mat3x3d hmat; |
207 |
< |
double chi; |
208 |
< |
double integralOfChiDt; |
207 |
> |
RealType chi; |
208 |
> |
RealType integralOfChiDt; |
209 |
|
Mat3x3d eta; |
210 |
|
|
211 |
|
currentTime = s->getTime(); |
347 |
|
int myPotato; |
348 |
|
int nProc; |
349 |
|
int which_node; |
350 |
< |
double atomData[19]; |
350 |
> |
RealType atomData[19]; |
351 |
|
int isDirectional; |
352 |
|
char MPIatomTypeString[MINIBUFFERSIZE]; |
353 |
|
int msgLen; // the length of message actually recieved at master nodes |
422 |
|
|
423 |
|
myPotato++; |
424 |
|
|
425 |
< |
MPI_Recv(atomData, 19, MPI_DOUBLE, which_node, myPotato, |
425 |
> |
MPI_Recv(atomData, 19, MPI_REALTYPE, which_node, myPotato, |
426 |
|
MPI_COMM_WORLD, &istatus); |
427 |
|
myPotato++; |
428 |
|
|
429 |
< |
MPI_Get_count(&istatus, MPI_DOUBLE, &msgLen); |
429 |
> |
MPI_Get_count(&istatus, MPI_REALTYPE, &msgLen); |
430 |
|
|
431 |
|
if (msgLen == 13 || msgLen == 19) |
432 |
|
isDirectional = 1; |
726 |
|
myPotato++; |
727 |
|
|
728 |
|
if (isDirectional && needForceVector_) { |
729 |
< |
MPI_Send(atomData, 19, MPI_DOUBLE, 0, myPotato, |
729 |
> |
MPI_Send(atomData, 19, MPI_REALTYPE, 0, myPotato, |
730 |
|
MPI_COMM_WORLD); |
731 |
|
} else if (isDirectional) { |
732 |
< |
MPI_Send(atomData, 13, MPI_DOUBLE, 0, myPotato, |
732 |
> |
MPI_Send(atomData, 13, MPI_REALTYPE, 0, myPotato, |
733 |
|
MPI_COMM_WORLD); |
734 |
|
} else if (needForceVector_) { |
735 |
< |
MPI_Send(atomData, 12, MPI_DOUBLE, 0, myPotato, |
735 |
> |
MPI_Send(atomData, 12, MPI_REALTYPE, 0, myPotato, |
736 |
|
MPI_COMM_WORLD); |
737 |
|
} else { |
738 |
< |
MPI_Send(atomData, 6, MPI_DOUBLE, 0, myPotato, |
738 |
> |
MPI_Send(atomData, 6, MPI_REALTYPE, 0, myPotato, |
739 |
|
MPI_COMM_WORLD); |
740 |
|
} |
741 |
|
|