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Patches to apply to build OpenMX with clang
Date: 2018/09/12 12:03
Name: Yuri   <yuri@rawbw.com>
References: https://www.freshports.org/science/openmx/

Please apply the following patches.

* type conversions are needed after malloc
* 'or' variables need to be renamed
* return type of function needs to be added.

I had to add them to build the FreeBSD port that I just created.

Thanks,
Yuri



--- Band_DFT_Col.c.orig 2018-08-29 06:24:38 UTC
+++ Band_DFT_Col.c
@@ -483,9 +483,9 @@ double Band_DFT_Col(int SCF_iter,

/* allocation */

- stat_send = malloc(sizeof(MPI_Status)*numprocs2);
- request_send = malloc(sizeof(MPI_Request)*numprocs2);
- request_recv = malloc(sizeof(MPI_Request)*numprocs2);
+ stat_send = (MPI_Status *)malloc(sizeof(MPI_Status)*numprocs2);
+ request_send = (MPI_Request *)malloc(sizeof(MPI_Request)*numprocs2);
+ request_recv = (MPI_Request *)malloc(sizeof(MPI_Request)*numprocs2);

is1 = (int*)malloc(sizeof(int)*numprocs2);
ie1 = (int*)malloc(sizeof(int)*numprocs2);
--- Band_DFT_NonCol.c.orig 2018-08-29 06:26:10 UTC
+++ Band_DFT_NonCol.c
@@ -554,9 +554,9 @@ double Band_DFT_NonCol(int SCF_iter,

/* allocation */

- stat_send = malloc(sizeof(MPI_Status)*numprocs1);
- request_send = malloc(sizeof(MPI_Request)*numprocs1);
- request_recv = malloc(sizeof(MPI_Request)*numprocs1);
+ stat_send = (MPI_Status *)malloc(sizeof(MPI_Status)*numprocs1);
+ request_send = (MPI_Request *)malloc(sizeof(MPI_Request)*numprocs1);
+ request_recv = (MPI_Request *)malloc(sizeof(MPI_Request)*numprocs1);

is1 = (int*)malloc(sizeof(int)*numprocs1);
ie1 = (int*)malloc(sizeof(int)*numprocs1);
--- Cluster_DFT.c.orig 2018-08-29 06:05:22 UTC
+++ Cluster_DFT.c
@@ -194,9 +194,9 @@ static double Cluster_collinear(

Num_Comm_World1 = SpinP_switch + 1;

- stat_send = malloc(sizeof(MPI_Status)*numprocs0);
- request_send = malloc(sizeof(MPI_Request)*numprocs0);
- request_recv = malloc(sizeof(MPI_Request)*numprocs0);
+ stat_send = (MPI_Status *)malloc(sizeof(MPI_Status)*numprocs0);
+ request_send = (MPI_Request *)malloc(sizeof(MPI_Request)*numprocs0);
+ request_recv = (MPI_Request *)malloc(sizeof(MPI_Request)*numprocs0);

/***********************************************
allocation of arrays for the first world
@@ -1541,9 +1541,9 @@ static double Cluster_non_collinear(

/* allocation of arrays */

- stat_send = malloc(sizeof(MPI_Status)*numprocs);
- request_send = malloc(sizeof(MPI_Request)*numprocs);
- request_recv = malloc(sizeof(MPI_Request)*numprocs);
+ stat_send = (MPI_Status *)malloc(sizeof(MPI_Status)*numprocs);
+ request_send = (MPI_Request *)malloc(sizeof(MPI_Request)*numprocs);
+ request_recv = (MPI_Request *)malloc(sizeof(MPI_Request)*numprocs);

/****************************************************
calculation of the array size
@@ -2649,7 +2649,7 @@ void Save_DOS_Col(int n, int MaxN, int *
MPI_Comm_size(mpi_comm_level1,&numprocs);
MPI_Comm_rank(mpi_comm_level1,&myid);

- request_recv = malloc(sizeof(MPI_Request)*numprocs);
+ request_recv = (MPI_Request *)malloc(sizeof(MPI_Request)*numprocs);

/* open file pointers */

@@ -2901,7 +2901,7 @@ void Save_DOS_NonCol(int n, int MaxN, in
MPI_Comm_size(mpi_comm_level1,&numprocs);
MPI_Comm_rank(mpi_comm_level1,&myid);

- request_recv = malloc(sizeof(MPI_Request)*numprocs);
+ request_recv = (MPI_Request *)malloc(sizeof(MPI_Request)*numprocs);

/* open file pointers */

--- Cluster_DFT_ON2.c.orig 2016-03-27 06:53:28 UTC
+++ Cluster_DFT_ON2.c
@@ -10,6 +10,7 @@

***********************************************************************/

+#include <complex.h>
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
@@ -1275,9 +1276,9 @@ static void OND_Solver(
MPI_Request *request_send;
MPI_Request *request_recv;

- stat_send = malloc(sizeof(MPI_Status)*numprocs2);
- request_send = malloc(sizeof(MPI_Request)*numprocs2);
- request_recv = malloc(sizeof(MPI_Request)*numprocs2);
+ stat_send = (MPI_Status *)malloc(sizeof(MPI_Status)*numprocs2);
+ request_send = (MPI_Request *)malloc(sizeof(MPI_Request)*numprocs2);
+ request_recv = (MPI_Request *)malloc(sizeof(MPI_Request)*numprocs2);

al.r = 1.0;
al.i = 0.0;
--- Mixing_H.c.orig 2018-08-29 05:53:55 UTC
+++ Mixing_H.c
@@ -74,7 +74,7 @@ void Pulay_Mixing_H_MultiSecant(int MD_i
double sum,my_sum,tmp1,tmp2,alpha;
double r,r10,r11,r12,r13,r20,r21,r22;
double h,h10,h11,h12,h13,h20,h21,h22;
- double my_sy,my_yy,sy,yy,norm,s,y,or,al,be;
+ double my_sy,my_yy,sy,yy,norm,s,y,orx,al,be;
double **A,**IA,*coes,*coes2,*ror;
char nanchar[300];

@@ -635,44 +635,44 @@ void Pulay_Mixing_H_MultiSecant(int MD_i
s = HisH1[m][0][Mc_AN][h_AN][i][j] - HisH1[m+1][0][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[m][0][Mc_AN][h_AN][i][j] - ResidualH1[m+1][0][Mc_AN][h_AN][i][j]; /* y */
r = s - al*y; /* r */
- or = ResidualH1[dim+1][0][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += r*or;
+ orx = ResidualH1[dim+1][0][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += r*orx;

s = HisH1[m][1][Mc_AN][h_AN][i][j] - HisH1[m+1][1][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[m][1][Mc_AN][h_AN][i][j] - ResidualH1[m+1][1][Mc_AN][h_AN][i][j]; /* y */
r = s - al*y; /* r */
- or = ResidualH1[dim+1][1][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += r*or;
+ orx = ResidualH1[dim+1][1][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += r*orx;

s = HisH1[m][2][Mc_AN][h_AN][i][j] - HisH1[m+1][2][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[m][2][Mc_AN][h_AN][i][j] - ResidualH1[m+1][2][Mc_AN][h_AN][i][j]; /* y */
r = s - al*y; /* r */
- or = ResidualH1[dim+1][2][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += r*or;
+ orx = ResidualH1[dim+1][2][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += r*orx;

s = HisH1[m][3][Mc_AN][h_AN][i][j] - HisH1[m+1][3][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[m][3][Mc_AN][h_AN][i][j] - ResidualH1[m+1][3][Mc_AN][h_AN][i][j]; /* y */
r = s - al*y; /* r */
- or = ResidualH1[dim+1][3][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += r*or;
+ orx = ResidualH1[dim+1][3][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += r*orx;

s = HisH2[m][0][Mc_AN][h_AN][i][j] - HisH2[m+1][0][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH2[m][0][Mc_AN][h_AN][i][j] - ResidualH2[m+1][0][Mc_AN][h_AN][i][j]; /* y */
r = s - al*y; /* r */
- or = ResidualH2[dim+1][0][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += r*or;
+ orx = ResidualH2[dim+1][0][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += r*orx;

s = HisH2[m][1][Mc_AN][h_AN][i][j] - HisH2[m+1][1][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH2[m][1][Mc_AN][h_AN][i][j] - ResidualH2[m+1][1][Mc_AN][h_AN][i][j]; /* y */
r = s - al*y; /* r */
- or = ResidualH2[dim+1][1][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += r*or;
+ orx = ResidualH2[dim+1][1][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += r*orx;

s = HisH2[m][2][Mc_AN][h_AN][i][j] - HisH2[m+1][2][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH2[m][2][Mc_AN][h_AN][i][j] - ResidualH2[m+1][2][Mc_AN][h_AN][i][j]; /* y */
r = s - al*y; /* r */
- or = ResidualH2[dim+1][2][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += r*or;
+ orx = ResidualH2[dim+1][2][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += r*orx;

}
}
@@ -696,8 +696,8 @@ void Pulay_Mixing_H_MultiSecant(int MD_i
s = HisH1[m][spin][Mc_AN][h_AN][i][j] - HisH1[m+1][spin][Mc_AN][h_AN][i][j];
y = ResidualH1[m][spin][Mc_AN][h_AN][i][j] - ResidualH1[m+1][spin][Mc_AN][h_AN][i][j];
r = s - al*y;
- or = ResidualH1[dim+1][spin][Mc_AN][h_AN][i][j];
- my_sum += r*or;
+ orx = ResidualH1[dim+1][spin][Mc_AN][h_AN][i][j];
+ my_sum += r*orx;
}
}
}
@@ -986,7 +986,7 @@ void Pulay_Mixing_H_with_One_Shot_Hessia
double my_sum,tmp1,tmp2,alpha;
double r,r10,r11,r12,r13,r20,r21,r22;
double h,h10,h11,h12,h13,h20,h21,h22;
- double my_sy,my_yy,sy,yy,norm,s,y,or,al,be;
+ double my_sy,my_yy,sy,yy,norm,s,y,orx,al,be;
double **A,**IA,*coes;
char nanchar[300];

@@ -1427,38 +1427,38 @@ void Pulay_Mixing_H_with_One_Shot_Hessia

s = HisH1[0][0][Mc_AN][h_AN][i][j] - HisH1[1][0][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[0][0][Mc_AN][h_AN][i][j] - ResidualH1[1][0][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH1[dim][0][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += (s-al*y)*or;
+ orx = ResidualH1[dim][0][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += (s-al*y)*orx;

s = HisH1[0][1][Mc_AN][h_AN][i][j] - HisH1[1][1][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[0][1][Mc_AN][h_AN][i][j] - ResidualH1[1][1][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH1[dim][1][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += (s-al*y)*or;
+ orx = ResidualH1[dim][1][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += (s-al*y)*orx;

s = HisH1[0][2][Mc_AN][h_AN][i][j] - HisH1[1][2][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[0][2][Mc_AN][h_AN][i][j] - ResidualH1[1][2][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH1[dim][2][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += (s-al*y)*or;
+ orx = ResidualH1[dim][2][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += (s-al*y)*orx;

s = HisH1[0][3][Mc_AN][h_AN][i][j] - HisH1[1][3][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[0][3][Mc_AN][h_AN][i][j] - ResidualH1[1][3][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH1[dim][3][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += (s-al*y)*or;
+ orx = ResidualH1[dim][3][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += (s-al*y)*orx;

s = HisH2[0][0][Mc_AN][h_AN][i][j] - HisH2[1][0][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH2[0][0][Mc_AN][h_AN][i][j] - ResidualH2[1][0][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH2[dim][0][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += (s-al*y)*or;
+ orx = ResidualH2[dim][0][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += (s-al*y)*orx;

s = HisH2[0][1][Mc_AN][h_AN][i][j] - HisH2[1][1][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH2[0][1][Mc_AN][h_AN][i][j] - ResidualH2[1][1][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH2[dim][1][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += (s-al*y)*or;
+ orx = ResidualH2[dim][1][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += (s-al*y)*orx;

s = HisH2[0][2][Mc_AN][h_AN][i][j] - HisH2[1][2][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH2[0][2][Mc_AN][h_AN][i][j] - ResidualH2[1][2][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH2[dim][2][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += (s-al*y)*or;
+ orx = ResidualH2[dim][2][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += (s-al*y)*orx;
}
}
}
@@ -1479,8 +1479,8 @@ void Pulay_Mixing_H_with_One_Shot_Hessia
for (j=0; j<Spe_Total_NO[Hwan]; j++){
s = HisH1[0][spin][Mc_AN][h_AN][i][j] - HisH1[1][spin][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[0][spin][Mc_AN][h_AN][i][j] - ResidualH1[1][spin][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH1[dim][spin][Mc_AN][h_AN][i][j]; /* OptResidualH */
- my_sum += (s-al*y)*or;
+ orx = ResidualH1[dim][spin][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ my_sum += (s-al*y)*orx;
}
}
}
@@ -1541,38 +1541,38 @@ void Pulay_Mixing_H_with_One_Shot_Hessia

s = HisH1[0][0][Mc_AN][h_AN][i][j] - HisH1[1][0][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[0][0][Mc_AN][h_AN][i][j] - ResidualH1[1][0][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH1[dim][0][Mc_AN][h_AN][i][j]; /* OptResidualH */
- H[0][Mc_AN][h_AN][i][j] = h10 - alpha*(al*or + (s-al*y)*be);
+ orx = ResidualH1[dim][0][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ H[0][Mc_AN][h_AN][i][j] = h10 - alpha*(al*orx + (s-al*y)*be);

s = HisH1[0][1][Mc_AN][h_AN][i][j] - HisH1[1][1][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[0][1][Mc_AN][h_AN][i][j] - ResidualH1[1][1][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH1[dim][1][Mc_AN][h_AN][i][j]; /* OptResidualH */
- H[1][Mc_AN][h_AN][i][j] = h11 - alpha*(al*or + (s-al*y)*be);
+ orx = ResidualH1[dim][1][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ H[1][Mc_AN][h_AN][i][j] = h11 - alpha*(al*orx + (s-al*y)*be);

s = HisH1[0][2][Mc_AN][h_AN][i][j] - HisH1[1][2][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[0][2][Mc_AN][h_AN][i][j] - ResidualH1[1][2][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH1[dim][2][Mc_AN][h_AN][i][j]; /* OptResidualH */
- H[2][Mc_AN][h_AN][i][j] = h12 - alpha*(al*or + (s-al*y)*be);
+ orx = ResidualH1[dim][2][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ H[2][Mc_AN][h_AN][i][j] = h12 - alpha*(al*orx + (s-al*y)*be);

s = HisH1[0][3][Mc_AN][h_AN][i][j] - HisH1[1][3][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[0][3][Mc_AN][h_AN][i][j] - ResidualH1[1][3][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH1[dim][3][Mc_AN][h_AN][i][j]; /* OptResidualH */
- H[3][Mc_AN][h_AN][i][j] = h13 - alpha*(al*or + (s-al*y)*be);
+ orx = ResidualH1[dim][3][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ H[3][Mc_AN][h_AN][i][j] = h13 - alpha*(al*orx + (s-al*y)*be);

s = HisH2[0][0][Mc_AN][h_AN][i][j] - HisH2[1][0][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH2[0][0][Mc_AN][h_AN][i][j] - ResidualH2[1][0][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH2[dim][0][Mc_AN][h_AN][i][j]; /* OptResidualH */
- iHNL[0][Mc_AN][h_AN][i][j] = h20 - alpha*(al*or + (s-al*y)*be);
+ orx = ResidualH2[dim][0][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ iHNL[0][Mc_AN][h_AN][i][j] = h20 - alpha*(al*orx + (s-al*y)*be);

s = HisH2[0][1][Mc_AN][h_AN][i][j] - HisH2[1][1][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH2[0][1][Mc_AN][h_AN][i][j] - ResidualH2[1][1][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH2[dim][1][Mc_AN][h_AN][i][j]; /* OptResidualH */
- iHNL[1][Mc_AN][h_AN][i][j] = h21 - alpha*(al*or + (s-al*y)*be);
+ orx = ResidualH2[dim][1][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ iHNL[1][Mc_AN][h_AN][i][j] = h21 - alpha*(al*orx + (s-al*y)*be);

s = HisH2[0][2][Mc_AN][h_AN][i][j] - HisH2[1][2][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH2[0][2][Mc_AN][h_AN][i][j] - ResidualH2[1][2][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH2[dim][2][Mc_AN][h_AN][i][j]; /* OptResidualH */
- iHNL[2][Mc_AN][h_AN][i][j] = h22 - alpha*(al*or + (s-al*y)*be);
+ orx = ResidualH2[dim][2][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ iHNL[2][Mc_AN][h_AN][i][j] = h22 - alpha*(al*orx + (s-al*y)*be);
}
}
}
@@ -1599,8 +1599,8 @@ void Pulay_Mixing_H_with_One_Shot_Hessia

s = HisH1[0][spin][Mc_AN][h_AN][i][j] - HisH1[1][spin][Mc_AN][h_AN][i][j]; /* s */
y = ResidualH1[0][spin][Mc_AN][h_AN][i][j] - ResidualH1[1][spin][Mc_AN][h_AN][i][j]; /* y */
- or = ResidualH1[dim][spin][Mc_AN][h_AN][i][j]; /* OptResidualH */
- H[spin][Mc_AN][h_AN][i][j] = h - alpha*(al*or + (s-al*y)*be);
+ orx = ResidualH1[dim][spin][Mc_AN][h_AN][i][j]; /* OptResidualH */
+ H[spin][Mc_AN][h_AN][i][j] = h - alpha*(al*orx + (s-al*y)*be);

}
}
--- Poisson.c.orig 2018-08-29 05:58:06 UTC
+++ Poisson.c
@@ -141,8 +141,8 @@ void FFT_Poisson(double *ReRhor, double
allocation of arrays:
****************************************************/

- in = fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);
- out = fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);
+ in = (fftw_complex *)fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);
+ out = (fftw_complex *)fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);

/*------------------ FFT along the C-axis in the AB partition ------------------*/

@@ -182,10 +182,10 @@ void FFT_Poisson(double *ReRhor, double
array0 = (double*)malloc(sizeof(double)*2*GP_B_AB2CA_S[NN_B_AB2CA_S]);
array1 = (double*)malloc(sizeof(double)*2*GP_B_AB2CA_R[NN_B_AB2CA_R]);

- request_send = malloc(sizeof(MPI_Request)*NN_B_AB2CA_S);
- request_recv = malloc(sizeof(MPI_Request)*NN_B_AB2CA_R);
- stat_send = malloc(sizeof(MPI_Status)*NN_B_AB2CA_S);
- stat_recv = malloc(sizeof(MPI_Status)*NN_B_AB2CA_R);
+ request_send = (MPI_Request *)malloc(sizeof(MPI_Request)*NN_B_AB2CA_S);
+ request_recv = (MPI_Request *)malloc(sizeof(MPI_Request)*NN_B_AB2CA_R);
+ stat_send = (MPI_Status *)malloc(sizeof(MPI_Status)*NN_B_AB2CA_S);
+ stat_recv = (MPI_Status *)malloc(sizeof(MPI_Status)*NN_B_AB2CA_R);

NN_S = 0;
NN_R = 0;
@@ -307,10 +307,10 @@ void FFT_Poisson(double *ReRhor, double
array0 = (double*)malloc(sizeof(double)*2*GP_B_CA2CB_S[NN_B_CA2CB_S]);
array1 = (double*)malloc(sizeof(double)*2*GP_B_CA2CB_R[NN_B_CA2CB_R]);

- request_send = malloc(sizeof(MPI_Request)*NN_B_CA2CB_S);
- request_recv = malloc(sizeof(MPI_Request)*NN_B_CA2CB_R);
- stat_send = malloc(sizeof(MPI_Status)*NN_B_CA2CB_S);
- stat_recv = malloc(sizeof(MPI_Status)*NN_B_CA2CB_R);
+ request_send = (MPI_Request *)malloc(sizeof(MPI_Request)*NN_B_CA2CB_S);
+ request_recv = (MPI_Request *)malloc(sizeof(MPI_Request)*NN_B_CA2CB_R);
+ stat_send = (MPI_Status *)malloc(sizeof(MPI_Status)*NN_B_CA2CB_S);
+ stat_recv = (MPI_Status *)malloc(sizeof(MPI_Status)*NN_B_CA2CB_R);

NN_S = 0;
NN_R = 0;
@@ -503,8 +503,8 @@ void Inverse_FFT_Poisson(double *ReRhor,
fftw_complex out[List_YOUSO[17]];
****************************************************/

- in = fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);
- out = fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);
+ in = (fftw_complex *)fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);
+ out = (fftw_complex *)fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);

/*------------------ Inverse FFT along the A-axis in the CB partition ------------------*/

@@ -544,10 +544,10 @@ void Inverse_FFT_Poisson(double *ReRhor,
array0 = (double*)malloc(sizeof(double)*2*GP_B_CA2CB_R[NN_B_CA2CB_R]);
array1 = (double*)malloc(sizeof(double)*2*GP_B_CA2CB_S[NN_B_CA2CB_S]);

- request_send = malloc(sizeof(MPI_Request)*NN_B_CA2CB_R);
- request_recv = malloc(sizeof(MPI_Request)*NN_B_CA2CB_S);
- stat_send = malloc(sizeof(MPI_Status)*NN_B_CA2CB_R);
- stat_recv = malloc(sizeof(MPI_Status)*NN_B_CA2CB_S);
+ request_send = (MPI_Request *)malloc(sizeof(MPI_Request)*NN_B_CA2CB_R);
+ request_recv = (MPI_Request *)malloc(sizeof(MPI_Request)*NN_B_CA2CB_S);
+ stat_send = (MPI_Status *)malloc(sizeof(MPI_Status)*NN_B_CA2CB_R);
+ stat_recv = (MPI_Status *)malloc(sizeof(MPI_Status)*NN_B_CA2CB_S);

NN_S = 0;
NN_R = 0;
@@ -669,10 +669,10 @@ void Inverse_FFT_Poisson(double *ReRhor,
array0 = (double*)malloc(sizeof(double)*2*GP_B_AB2CA_R[NN_B_AB2CA_R]);
array1 = (double*)malloc(sizeof(double)*2*GP_B_AB2CA_S[NN_B_AB2CA_S]);

- request_send = malloc(sizeof(MPI_Request)*NN_B_AB2CA_R);
- request_recv = malloc(sizeof(MPI_Request)*NN_B_AB2CA_S);
- stat_send = malloc(sizeof(MPI_Status)*NN_B_AB2CA_R);
- stat_recv = malloc(sizeof(MPI_Status)*NN_B_AB2CA_S);
+ request_send = (MPI_Request *)malloc(sizeof(MPI_Request)*NN_B_AB2CA_R);
+ request_recv = (MPI_Request *)malloc(sizeof(MPI_Request)*NN_B_AB2CA_S);
+ stat_send = (MPI_Status *)malloc(sizeof(MPI_Status)*NN_B_AB2CA_R);
+ stat_recv = (MPI_Status *)malloc(sizeof(MPI_Status)*NN_B_AB2CA_S);

NN_S = 0;
NN_R = 0;
--- Poisson_ESM.c.orig 2018-08-29 06:03:16 UTC
+++ Poisson_ESM.c
@@ -71,8 +71,8 @@ double Poisson_ESM(int fft_charge_flag,
fftw_complex out[List_YOUSO[17]];
****************************************************/

- in0 = fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);
- out0 = fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);
+ in0 = (fftw_complex *)fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);
+ out0 = (fftw_complex *)fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);


if (myid==Host_ID) {
@@ -908,8 +908,8 @@ void One_dim_FFT(FILE *fp,
fftw_complex out[List_YOUSO[17]];
****************************************************/

- in = fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);
- out = fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);
+ in = (fftw_complex *)fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);
+ out = (fftw_complex *)fftw_malloc(sizeof(fftw_complex)*List_YOUSO[17]);

p = fftw_plan_dft_1d(Ngrid1, in, out, sgn2, FFTW_ESTIMATE);

--- bandgnu13.c.orig 2018-09-11 19:33:10 UTC
+++ bandgnu13.c
@@ -75,7 +75,7 @@ void vk_rtv(double vk[4], double rtv[4][

#define MUNIT 2

-main(int argc, char **argv)
+int main(int argc, char **argv)
{
static double Unit0[MUNIT]={27.2,1.0}; /* Hartree-> eV */
static char *Unitname0[MUNIT]={"eV","Hartree"};
e
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