Changeset d3482a for pcp/src/wannier.c
- Timestamp:
- Apr 23, 2008, 4:03:13 PM (18 years ago)
- Children:
- 4f9fe2
- Parents:
- d52fb5
- File:
-
- 1 edited
-
pcp/src/wannier.c (modified) (4 diffs)
Legend:
- Unmodified
- Added
- Removed
-
pcp/src/wannier.c
rd52fb5 rd3482a 1855 1855 int i,l,j, msglen; 1856 1856 FILE *SpreadFile; 1857 char tagname[255];1857 char *tagname; 1858 1858 char suffix[18]; 1859 1859 double WannierCentre[NDIM+1]; // combined centre and spread … … 1874 1874 if (P->Call.out[NormalOut]) fprintf(stderr,"(%i) Parsing Wannier Centres from file ... \n", P->Par.me); 1875 1875 1876 if (P->Par.me_comm_ST == 0) { 1876 if (P->Par.me_comm_ST == 0) { 1877 tagname = (char *) Malloc(sizeof(char)*255, "ParseWannierFile: *tagname"); 1877 1878 if(!OpenFile(P, &SpreadFile, suffix, "r", P->Call.out[ReadOut])) { // check if file exists 1878 1879 if (MPI_Bcast(&signal,1,MPI_INT,0,P->Par.comm_ST) != MPI_SUCCESS) … … 1936 1937 for (j=0;j<NDIM;j++) Psi->AddData[OnePsiA->MyLocalNo].WannierCentre[j] = WannierCentre[j]; 1937 1938 Psi->AddData[OnePsiA->MyLocalNo].WannierSpread = WannierCentre[NDIM]; 1938 //if (P->Par.me == 0 && P->Call.out[ValueOut]) fprintf(stderr,"(%i) %s\t%lg\t%lg\t%lg\t\t%lg\n",P->Par.me, tagname,Psi->AddData[OnePsiA->MyLocalNo].WannierCentre[0],Psi->AddData[OnePsiA->MyLocalNo].WannierCentre[1],Psi->AddData[OnePsiA->MyLocalNo].WannierCentre[2],Psi->AddData[OnePsiA->MyLocalNo].WannierSpread);1939 //if (P->Par.me == 0 && P->Call.out[ValueOut]) fprintf(stderr,"(%i) %s\t%lg\t%lg\t%lg\t\t%lg\n",P->Par.me, tagname,Psi->AddData[OnePsiA->MyLocalNo].WannierCentre[0],Psi->AddData[OnePsiA->MyLocalNo].WannierCentre[1],Psi->AddData[OnePsiA->MyLocalNo].WannierCentre[2],Psi->AddData[OnePsiA->MyLocalNo].WannierSpread); 1939 1940 } else if (P->Par.me_comm_ST == 0) { // if they are not local, yet we are process 0, send 'em to leader of its Psi group 1940 1941 if (MPI_Send(WannierCentre, NDIM+1, MPI_DOUBLE, OnePsiA->my_color_comm_ST_Psi, ParseWannierTag, P->Par.comm_ST_PsiT) != MPI_SUCCESS) … … 1944 1945 } 1945 1946 } 1946 if ((SpreadFile != NULL) && (P->Par.me_comm_ST == 0)) 1947 if ((SpreadFile != NULL) && (P->Par.me_comm_ST == 0)) { 1947 1948 fclose(SpreadFile); 1949 Free(tagname, "ParseWannierFile: *tagname"); 1950 } 1948 1951 //fprintf(stderr,"(%i) Parsing Wannier files succeeded!\n", P->Par.me); 1949 1952 return 1;
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