/*
DFT++ is a density functional package developed by the research group
of Professor Tomas Arias
Copyright 1996-2003 Sohrab Ismail-Beigi
This file is part of DFT++.
DFT++ is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
DFT++ is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with DFT++; if not, write to the Free Software
Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
Please see the file CREDITS for a list of authors.
For academic users, we request that publications using results obtained with
this software reference
"New algebraic formulation of density functional calculation," by Sohrab Ismail-Beigi
and T.A. Arias, Computer Physics Communications 128:1-2, 1-45 (June 2000).
and, if using the wavelet basis, further reference
"Multiresolution analysis of electronic structure: semicardinal and wavelet bases,"
T.A. Arias, Reviews of Modern Physics 71:1, 267-311 (January 1999).
and
"Robust ab initio calculation of condensed matter: transparent convergence through
semicardinal multiresolution analysis,'' I.P. Daykov, T.A. Arias, and
Torkel D. Engeness, Physical Review Letters, 90:21, 216402 (May 2003).
For your convenience, preprints of the above articles may be obtained from
http://arXiv.org/abs/cond-mat/9909130, 9805262, and 0204411, respectively.
*/
/*
* Gabor Csanyi, June 1999
*
* generalized I/O functions to handle serial and MPI binary I/O in a
* unified way
*
* dft_fopen()
* dft_fclose()
* dft_fread() BUG: assumes data is type double
* dft_fwrite()
*
*/
#include "header.h"
#include "parallel.h"
/*
* dft_fopen() opens a file and returns the file pointer. arguments
* are as in standard fopen(). If called in a serial context, it
* simply executes a system fopen(). If called in an MPI context, it
* executes a fopen() on the I/O node, and returns a NULL on all the
* other nodes.
*
* ---> dft_open does its own error checking, so please do not check
* for NULL returns from dft_open as an error (in fact, on MPI
* nodes, it returns NULL so this would create trouble!)
*/
FILE *
dft_fopen(char *filename, char *access_string)
{
FILE *stream;
char s[DFT_MSG_LEN];
// Some systems like a "b" at the end of the access string
// otherwise they will not process the file as binary but
// as text which causes trouble. So we'll append b, unless
// it is already there.
strcpy(s,access_string);
if (s[strlen(s)-1] != 'b')
strcat(s,"b");
#ifdef DFT_MPI
// we are running on an MPI system
int ready_flag = 0;
int my_id = System::Get_procID();
int io_node = System::Get_IOprocID();
if (my_id == io_node){
stream = fopen(filename,s);
// check if fopen was successful
if (stream == NULL){
// it wasnt... tell all processes to quit.
MPI_Bcast ( &ready_flag, 1, MPI_INT, io_node, MPI_COMM_WORLD );
die("Can't open %s with mode %s in dft_fopen()\n", filename, s);
}
ready_flag = 1; // tell all processes that we are fine
MPI_Bcast ( &ready_flag, 1, MPI_INT, io_node, MPI_COMM_WORLD );
return(stream);
}else{
// Get signal from the I/O node
MPI_Bcast ( &ready_flag, 1, MPI_INT, io_node, MPI_COMM_WORLD );
// Error. Abort.
if (ready_flag != 1)
die("Proc %d aborts on dft_fopen of %s with mode %s.\n",
my_id, filename, s);
return(NULL);
}
#else //DFT_MPI
// we are running in a serial context
stream = fopen(filename,s);
if (stream == NULL){
die("Can't open %s in dft_fopen()\n",filename);
}
return(stream);
#endif //DFT_MPI
}
/*
* dft_fclose() closes the stream pointed to by its argument. if the
* argument is NULL, it does nothing.
*
*/
void
dft_fclose(FILE *stream)
{
#ifdef DFT_MPI
// we are in an MPI context
int my_id = System::Get_procID();
int io_node = System::Get_IOprocID();
if (my_id == io_node){
fclose(stream);
}
#else // DFT_MPI
// we are in a serial context, so just close the stream
fclose(stream);
#endif //DFT_MPI
}
/*
* dft_fwrite() called in a scalar context just does an fwrite(). in an
* MPI context, it does an fwrite if executed in the I/O node, and nothing
* on any other node. returns the number of bytes written.
*/
size_t
dft_fwrite(const void *data, size_t size, size_t nmemb, FILE *stream)
{
#ifdef DFT_MPI
int my_id = System::Get_procID();
int io_node = System::Get_IOprocID();
if (my_id == io_node){
return(fwrite(data, size, nmemb, stream));
}else{
return(0);
}
#else // DFT_MPI
// we are in a serial context
return(fwrite(data, size, nmemb, stream));
#endif //DFT_MPI
}
/*
* dft_fread() called in a scalar context just does an fread(). in an
* MPI context, it does an fread if executed in the I/O node, and nothing
* on any other node. then it broadcases the results, and returns the return vallue
* of the system fread.
*/
size_t
dft_fread(void *data, size_t size, size_t nmemb, FILE *stream)
{
#ifdef DFT_MPI
// we are in an MPI context
// the problem is that dft_fread() is not aware of the type of the data
// but the MPI broadcast needs that information. so at a minimum we assume
// that its a double, and we trap if its not.
if(size != sizeof(double)*SCALAR_SIZE)
die("dft_fread() can only handle doubles at this point\n");
int my_id = System::Get_procID();
int io_node = System::Get_IOprocID();
size_t items;
if (my_id == io_node)
items = fread(data, size, nmemb, stream);
else
items=0;
// this assumes that the data is type double. TO BE FIXED
MPI_Bcast ( data, nmemb*SCALAR_SIZE, MPI_DOUBLE, io_node, MPI_COMM_WORLD );
return(items);
#else // DFT_MPI
// we are in a serial context
return(fread(data, size, nmemb, stream));
#endif // DFT_MPI
}
// Flush the file if we're the IO node
int
dft_fflush(FILE *stream)
{
#ifdef DFT_MPI
// we are in an MPI context
if (System::Get_procID() == System::Get_IOprocID())
return fflush(stream);
else
return 0;
#else // DFT_MPI
// we are in a serial context, so just flush the stream
return fflush(stream);
#endif //DFT_MPI
}
/* Does vfprintf */
int
dft_vfprintf(FILE *stream, char *format, va_list ap)
{
#ifdef DFT_MPI
// we are in an MPI context
if (System::Get_procID() == System::Get_IOprocID())
return vfprintf(stream,format,ap);
else
return 0;
#else // DFT_MPI
// we are in a serial context, so just flush the stream
return vfprintf(stream,format,ap);
#endif //DFT_MPI
}
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