git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11631 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -82,8 +82,11 @@ void DumpAtomMPIIO::openfile()
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if (append_flag) { // append open
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int err = MPI_File_open( world, filecurrent, MPI_MODE_CREATE | MPI_MODE_APPEND | MPI_MODE_WRONLY , MPI_INFO_NULL, &mpifh);
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if (err != MPI_SUCCESS)
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error->one(FLERR,"Cannot open dump file");
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if (err != MPI_SUCCESS) {
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char str[128];
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sprintf(str,"Cannot open dump file %s",filecurrent);
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error->one(FLERR,str);
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}
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int myrank;
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MPI_Comm_rank(world,&myrank);
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if (myrank == 0)
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@ -96,8 +99,11 @@ void DumpAtomMPIIO::openfile()
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else { // replace open
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int err = MPI_File_open( world, filecurrent, MPI_MODE_CREATE | MPI_MODE_APPEND | MPI_MODE_WRONLY , MPI_INFO_NULL, &mpifh);
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if (err != MPI_SUCCESS)
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error->one(FLERR,"Cannot open dump file");
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if (err != MPI_SUCCESS) {
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char str[128];
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sprintf(str,"Cannot open dump file %s",filecurrent);
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error->one(FLERR,str);
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}
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mpifo = 0;
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MPI_File_set_size(mpifh,(MPI_Offset) (headerSize+sumFileSize));
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@ -546,7 +552,7 @@ int DumpAtomMPIIO::convert_string_omp(int n, double *mybuf)
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int DumpAtomMPIIO::convert_image_omp(int n, double *mybuf)
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{
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double *localbuf = mybuf;
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MPI_Status mpiStatus;
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char **mpifh_buffer_line_per_thread;
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int mpifhStringCount;
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int *mpifhStringCountPerThread, *bufOffset, *bufRange, *bufLength;
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@ -581,7 +587,7 @@ int DumpAtomMPIIO::convert_image_omp(int n, double *mybuf)
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mpifh_buffer_line_per_thread[i] = (char *) malloc(DUMP_BUF_CHUNK_SIZE * sizeof(char));
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mpifh_buffer_line_per_thread[i][0] = '\0';
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#pragma omp parallel default(none) shared(localbuf,bufLength,bufOffset,bufRange,mpifhStringCountPerThread,mpifh_buffer_line_per_thread)
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#pragma omp parallel default(none) shared(bufOffset, bufRange, bufLength, mpifhStringCountPerThread, mpifh_buffer_line_per_thread, mybuf)
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{
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int tid = omp_get_thread_num();
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int m=0;
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@ -593,7 +599,7 @@ int DumpAtomMPIIO::convert_image_omp(int n, double *mybuf)
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bufLength[tid] = (mpifhStringCountPerThread[tid]+DUMP_BUF_CHUNK_SIZE) * sizeof(char);
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}
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),format,static_cast<int> (localbuf[bufOffset[tid]+m]),static_cast<int> (localbuf[bufOffset[tid]+m+1]),localbuf[bufOffset[tid]+m+2],localbuf[bufOffset[tid]+m+3],localbuf[bufOffset[tid]+m+4],static_cast<int> (localbuf[bufOffset[tid]+m+5]),static_cast<int> (localbuf[bufOffset[tid]+m+6]),static_cast<int> (localbuf[bufOffset[tid]+m+7]));
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),format,static_cast<int> (mybuf[bufOffset[tid]+m]),static_cast<int> (mybuf[bufOffset[tid]+m+1]),mybuf[bufOffset[tid]+m+2],mybuf[bufOffset[tid]+m+3],mybuf[bufOffset[tid]+m+4],static_cast<int> (mybuf[bufOffset[tid]+m+5]),static_cast<int> (mybuf[bufOffset[tid]+m+6]),static_cast<int> (mybuf[bufOffset[tid]+m+7]));
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m += size_one;
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}
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}
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@ -637,7 +643,7 @@ int DumpAtomMPIIO::convert_image_omp(int n, double *mybuf)
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int DumpAtomMPIIO::convert_noimage_omp(int n, double *mybuf)
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{
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double *localbuf = mybuf;
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MPI_Status mpiStatus;
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char **mpifh_buffer_line_per_thread;
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int mpifhStringCount;
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int *mpifhStringCountPerThread, *bufOffset, *bufRange, *bufLength;
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@ -672,7 +678,7 @@ int DumpAtomMPIIO::convert_noimage_omp(int n, double *mybuf)
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mpifh_buffer_line_per_thread[i] = (char *) malloc(DUMP_BUF_CHUNK_SIZE * sizeof(char));
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mpifh_buffer_line_per_thread[i][0] = '\0';
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#pragma omp parallel default(none) shared(localbuf,bufLength,bufOffset,bufRange,mpifhStringCountPerThread,mpifh_buffer_line_per_thread)
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#pragma omp parallel default(none) shared(bufOffset, bufRange, bufLength, mpifhStringCountPerThread, mpifh_buffer_line_per_thread, mybuf)
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{
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int tid = omp_get_thread_num();
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int m=0;
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@ -684,7 +690,7 @@ int DumpAtomMPIIO::convert_noimage_omp(int n, double *mybuf)
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bufLength[tid] = (mpifhStringCountPerThread[tid]+DUMP_BUF_CHUNK_SIZE) * sizeof(char);
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}
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),format,static_cast<int> (localbuf[bufOffset[tid]+m]),static_cast<int> (localbuf[bufOffset[tid]+m+1]),localbuf[bufOffset[tid]+m+2],localbuf[bufOffset[tid]+m+3],localbuf[bufOffset[tid]+m+4]);
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),format,static_cast<int> (mybuf[bufOffset[tid]+m]),static_cast<int> (mybuf[bufOffset[tid]+m+1]),mybuf[bufOffset[tid]+m+2],mybuf[bufOffset[tid]+m+3],mybuf[bufOffset[tid]+m+4]);
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m += size_one;
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}
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}
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@ -103,8 +103,11 @@ void DumpCustomMPIIO::openfile()
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if (append_flag) { // append open
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int err = MPI_File_open( world, filecurrent, MPI_MODE_CREATE | MPI_MODE_APPEND | MPI_MODE_WRONLY , MPI_INFO_NULL, &mpifh);
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if (err != MPI_SUCCESS)
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error->one(FLERR,"Cannot open dump file");
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if (err != MPI_SUCCESS) {
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char str[128];
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sprintf(str,"Cannot open dump file %s",filecurrent);
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error->one(FLERR,str);
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}
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int myrank;
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MPI_Comm_rank(world,&myrank);
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if (myrank == 0)
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@ -117,12 +120,16 @@ void DumpCustomMPIIO::openfile()
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else { // replace open
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int err = MPI_File_open( world, filecurrent, MPI_MODE_CREATE | MPI_MODE_APPEND | MPI_MODE_WRONLY , MPI_INFO_NULL, &mpifh);
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if (err != MPI_SUCCESS)
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error->one(FLERR,"Cannot open dump file");
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if (err != MPI_SUCCESS) {
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char str[128];
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sprintf(str,"Cannot open dump file %s",filecurrent);
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error->one(FLERR,str);
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}
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mpifo = 0;
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MPI_File_set_size(mpifh,(MPI_Offset) (headerSize+sumFileSize));
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currentFileSize = (headerSize+sumFileSize);
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}
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}
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@ -566,7 +573,7 @@ void DumpCustomMPIIO::write_string(int n, double *mybuf)
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int DumpCustomMPIIO::convert_string_omp(int n, double *mybuf)
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{
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double *localbuf = mybuf;
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MPI_Status mpiStatus;
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char **mpifh_buffer_line_per_thread;
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int mpifhStringCount;
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int *mpifhStringCountPerThread, *bufOffset, *bufRange, *bufLength;
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@ -601,7 +608,7 @@ int DumpCustomMPIIO::convert_string_omp(int n, double *mybuf)
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mpifh_buffer_line_per_thread[i] = (char *) malloc(DUMP_BUF_CHUNK_SIZE * sizeof(char));
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mpifh_buffer_line_per_thread[i][0] = '\0';
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#pragma omp parallel default(none) shared(localbuf,bufLength,bufOffset,bufRange,mpifhStringCountPerThread,mpifh_buffer_line_per_thread)
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#pragma omp parallel default(none) shared(bufOffset, bufRange, bufLength, mpifhStringCountPerThread, mpifh_buffer_line_per_thread, mybuf)
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{
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int tid = omp_get_thread_num();
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int m=0;
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@ -615,11 +622,11 @@ int DumpCustomMPIIO::convert_string_omp(int n, double *mybuf)
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for (int j = 0; j < size_one; j++) {
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if (vtype[j] == INT)
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],static_cast<int> (localbuf[bufOffset[tid]+m]));
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],static_cast<int> (mybuf[bufOffset[tid]+m]));
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else if (vtype[j] == DOUBLE)
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],localbuf[bufOffset[tid]+m]);
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],mybuf[bufOffset[tid]+m]);
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else if (vtype[j] == STRING)
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],typenames[(int) localbuf[bufOffset[tid]+m]]);
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),vformat[j],typenames[(int) mybuf[bufOffset[tid]+m]]);
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m ++;
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}
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),"\n");
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@ -103,8 +103,11 @@ void DumpXYZMPIIO::openfile()
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if (append_flag) { // append open
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int err = MPI_File_open( world, filecurrent, MPI_MODE_CREATE | MPI_MODE_APPEND | MPI_MODE_WRONLY , MPI_INFO_NULL, &mpifh);
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if (err != MPI_SUCCESS)
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error->one(FLERR,"Cannot open dump file");
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if (err != MPI_SUCCESS) {
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char str[128];
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sprintf(str,"Cannot open dump file %s",filecurrent);
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error->one(FLERR,str);
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}
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int myrank;
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MPI_Comm_rank(world,&myrank);
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if (myrank == 0)
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@ -116,12 +119,16 @@ void DumpXYZMPIIO::openfile()
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else { // replace open
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int err = MPI_File_open( world, filecurrent, MPI_MODE_CREATE | MPI_MODE_APPEND | MPI_MODE_WRONLY , MPI_INFO_NULL, &mpifh);
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if (err != MPI_SUCCESS)
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error->one(FLERR,"Cannot open dump file");
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if (err != MPI_SUCCESS) {
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char str[128];
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sprintf(str,"Cannot open dump file %s",filecurrent);
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error->one(FLERR,str);
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}
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mpifo = 0;
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MPI_File_set_size(mpifh,(MPI_Offset) (headerSize+sumFileSize));
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currentFileSize = (headerSize+sumFileSize);
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}
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}
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@ -308,7 +315,7 @@ void DumpXYZMPIIO::write_string(int n, double *mybuf)
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int DumpXYZMPIIO::convert_string_omp(int n, double *mybuf)
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{
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double *localbuf = mybuf;
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MPI_Status mpiStatus;
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char **mpifh_buffer_line_per_thread;
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int mpifhStringCount;
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int *mpifhStringCountPerThread, *bufOffset, *bufRange, *bufLength;
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@ -343,7 +350,7 @@ int DumpXYZMPIIO::convert_string_omp(int n, double *mybuf)
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mpifh_buffer_line_per_thread[i] = (char *) malloc(DUMP_BUF_CHUNK_SIZE * sizeof(char));
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mpifh_buffer_line_per_thread[i][0] = '\0';
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#pragma omp parallel default(none) shared(localbuf,bufLength,bufOffset,bufRange,mpifhStringCountPerThread,mpifh_buffer_line_per_thread)
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#pragma omp parallel default(none) shared(bufOffset, bufRange, bufLength, mpifhStringCountPerThread, mpifh_buffer_line_per_thread, mybuf)
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{
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int tid = omp_get_thread_num();
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int m=0;
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@ -355,7 +362,7 @@ int DumpXYZMPIIO::convert_string_omp(int n, double *mybuf)
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bufLength[tid] = (mpifhStringCountPerThread[tid]+DUMP_BUF_CHUNK_SIZE) * sizeof(char);
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}
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),format,typenames[static_cast<int> (localbuf[bufOffset[tid]+m+1])],localbuf[bufOffset[tid]+m+2],localbuf[bufOffset[tid]+m+3],localbuf[bufOffset[tid]+m+4]);
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mpifhStringCountPerThread[tid] += sprintf(&(mpifh_buffer_line_per_thread[tid][mpifhStringCountPerThread[tid]]),format,typenames[static_cast<int> (mybuf[bufOffset[tid]+m+1])],mybuf[bufOffset[tid]+m+2],mybuf[bufOffset[tid]+m+3],mybuf[bufOffset[tid]+m+4]);
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m += size_one;
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}
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