Util.h File Reference

Miscellaneous utilities. More...

#include <core/MPIUtil.h>
#include <map>
#include <array>
#include <cstring>
#include <cstdio>
#include <cstdint>
#include <sys/time.h>
#include <sys/wait.h>
#include <unistd.h>
#include <execinfo.h>
#include <sys/stat.h>
#include <inttypes.h>

Classes
struct	InitParams
	Parameters used for common initialization functions. More...
class	StopWatch
class	EnumStringMap< Enum >
	A template to ease option parsing (maps enums <--> strings) More...

Macros
#define	TIME(title, fp, code)
	Elapsed time in seconds (from start of program) More...
#define	assert(expr)    (void)((expr) ? 0 : assertStackTraceExit(#expr, __func__, __FILE__, __LINE__))
	A custom assertion with stack trace (NOTE: enabled in release modes as well)
#define	logPrintf(...)   fprintf(globalLog, __VA_ARGS__)
	printf() for log files
#define	logFlush()   fflush(globalLog)
	fflush() for log files
#define	die(...)
	Quit with an error message (formatted using printf()). Must be called from all processes. More...
#define	die_alone(...)
	Version of die that should only be used when it is impossible to guarantee synchronized calls from all processes. More...
#define	PRIdPTR   "zd"

Functions
void	printVersionBanner (const InitParams *ip=0)
	Print package name, version, revision etc. to log.
void	initSystem (int argc, char **argv, const InitParams *ip=0)
	Init MPI (if not already done), print banner, set up threads (play nice with job schedulers), GPU and signal handlers.
void	initSystemCmdline (int argc, char **argv, InitParams &ip)
	initSystem along with commandline options
void	finalizeSystem (bool successful=true)
	Clean-up corresponding to initSystem(), final messages (depending on successful) and clean-up MPI.
double	clock_us ()
double	clock_sec ()
	Elapsed time in microseconds (from start of program)
void	printStack (bool detailedStackScript=false)
	Print a minimal stack trace and optionally write a script that, when run, will print a more detailed stacktrace.
void	stackTraceExit (int code)
	Exit on error with stack trace.
int	assertStackTraceExit (const char *expr, const char *function, const char *file, long line)
void	logSuspend ()
	temporarily disable all log output (until logResume())
void	logResume ()
	re-enable logging after a logSuspend() call
void	Citations::add (string reason, string paper)
void	Citations::print (FILE *fp=globalLog)
	Print the list of citations (with reasons) to the specified stream.
off_t	fileSize (const char *filename)
	Get the size of a file.
void	convertToLE (void *ptr, size_t size, size_t nmemb)
	Convert data from operating endianness to little-endian.
void	convertFromLE (void *ptr, size_t size, size_t nmemb)
	Convert data from little-endian to operating endianness.
size_t	freadLE (void *ptr, size_t size, size_t nmemb, FILE *fp)
	Read from a little-endian binary file, regardless of operating endianness.
size_t	fwriteLE (const void *ptr, size_t size, size_t nmemb, FILE *fp)
	Write to a little-endian binary file, regardless of operating endianness.
uint16_t	positiveRemainder (int16_t x, uint16_t y)
	For any x and y>0, compute z = x % y such that 0 <= z < y.
bool	fftSuitable (int N)
	Check if an integer is suitable for Fast Fourier Transforms (small prime factors only)

Variables
string	inputBasename
	Basename of input file or "stdin" that can be used as a default run-name.
bool	killFlag
	Flag set by signal handlers - all compute loops should quit cleanly when this is set.
MPIUtil *	mpiWorld
	MPI across all processes.
MPIUtil *	mpiGroup
	MPI within current group of processes.
MPIUtil *	mpiGroupHead
	MPI across equal ranks in each group.
bool	mpiDebugLog
	If true, all processes output to seperate debug log files, otherwise only head process outputs (set before calling initSystem())
size_t	mempoolSize
	If non-zero, size of memory pool managed internally by JDFTx.
FILE *	globalLog
FILE *	nullLog
	pointer to /dev/null

Detailed Description

Miscellaneous utilities.

Function Documentation

add()

void Citations::add	(	string	reason,
		string	paper
	)

Add a citation to a paper with a reason (The same paper could be cited multiple times for different reasons)