/*
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.
*/
/*---------------------------- System -----------------------------------*
* *
* System class: takes care of System paramters (i.e. the computer *
* system) and parallelization information. *
* *
*-----------------------------------------------------------------------*/
#ifndef DFT_SYSTEM_H
#define DFT_SYSTEM_H
#include "Output.h"
class System
{
/**************************************************
** This data structure is the only one **
** that needs to know about the system **
** architecture. **
** **
** Static data needs to be **
** initialized at the very beginning of **
** the program. **
** **
** This class plays the role of the **
** caretaker of parallelization setup (e.g. MPI)**
** Never should an object of this class **
** be actually created. **
**************************************************/
protected:
static int N_Procs, My_procID;
/**********************************************************************
* scratch space manager *
**********************************************************************/
// this pointer points to a list of pointers, which in turn point to the
// scratch spaces.
static void **scratch_pointers;
// lock and length arrays for the scratch spaces
static int *scratch_locks;
static int *scratch_lengths;
static int *scratch_sizes;
// number of scratch spaces, ie length of above arrays
static int num_scratch;
public:
#ifdef DFT_THREAD
// Deault stacksize in bytes for the POSIX threads...here the default is 1M
static const int thread_stacksize = 1048576;
static int N_threads;
#endif
// Where all the logging info. goes...
static Output *global_log;
// static member function, initializing system
// dependent static members
static void GlobalInit(int* argc, char*** argv);
static void GlobalFinalize();
// Get processor information
static int Get_procID() { return My_procID; }
static int Get_N_Procs() { return N_Procs; }
// Indicates which processor(s) has full IO access.
// For now, assume processor 0 is such a processor.
static int Get_IOprocID() { return 0; }
// If we have thread parallelization
#ifdef DFT_THREAD
static int Get_N_threads() { return N_threads ; }
static int Get_thread_stacksize() { return thread_stacksize; }
#endif
static double get_time(); // provide transparent access to system timer
// flag: 0 means all procs get the same seed
// 1 means different seeds on different procs (using timer)
static void seed_with_time(int flag=1);
/**********************************************************************
* scratch space manager *
**********************************************************************/
// at the beginning of the program, we set up a number of scratch spaces;
// this function can be called more than once, with different arguments.
static void setup_scratch(int howmany, int length, int datasize);
// call this function to request a scratch space pointer.
static void* gimme_scratch(int length, int datasize);
// when you are done, you have to release the scratch space
static void release_scratch(void *);
};
// this is a good place to put the die function
void die(const char *last_words, ...);
#endif // DFT_SYSTEM_H
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