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Merge pull request SPARC-X#165 from StevenZhangCSFM/vdW_topoFFT2
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phanish-suryanarayana committed Apr 3, 2023
2 parents 60616ef + e1c323f commit 86f946c
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6 changes: 6 additions & 0 deletions ChangeLog
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Expand Up @@ -3,6 +3,12 @@
-Name
-changes

--------------
Apr 03, 2023
Name: Boqin Zhang
Changes: (xc/vdW/vdWDF/vdWDFparallelization.c)
1. Remove a warning message

--------------
Mar 31, 2023
Name: Xin Jing
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2 changes: 1 addition & 1 deletion src/initialization.c
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Expand Up @@ -3137,7 +3137,7 @@ void write_output_init(SPARC_OBJ *pSPARC) {
}

fprintf(output_fp,"***************************************************************************\n");
fprintf(output_fp,"* SPARC (version Mar 31, 2023) *\n");
fprintf(output_fp,"* SPARC (version Apr 03, 2023) *\n");
fprintf(output_fp,"* Copyright (c) 2020 Material Physics & Mechanics Group, Georgia Tech *\n");
fprintf(output_fp,"* Distributed under GNU General Public License 3 (GPL) *\n");
fprintf(output_fp,"* Start time: %s *\n",c_time_str);
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2 changes: 2 additions & 0 deletions src/xc/vdW/vdWDF/vdWDFparallelization.c
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Expand Up @@ -153,8 +153,10 @@ void vdWDF_Setup_Comms(SPARC_OBJ *pSPARC, int *gridsizes, int *phiDims) {
MPI_Comm_size(pSPARC->zAxisComm, &FFTsize);
int coord_newZAxisComm[3];
MPI_Cart_coords(pSPARC->zAxisComm, FFTrank, 3, coord_newZAxisComm);
#ifdef DEBUG
printf("I am rank %d in zAxisComm, my coord is %d %d %d, my ZAxisVertices is %d %d, there are %d processors in it.\n",
FFTrank, coord_newZAxisComm[0], coord_newZAxisComm[1], coord_newZAxisComm[2], pSPARC->zAxisVertices[4], pSPARC->zAxisVertices[5], FFTsize);
#endif
}

// compose the sender and receiver for gathering thetas to do parallel FFT
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