OpenAtom  Version1.5a
Public Member Functions | Public Attributes | List of all members
Config Class Reference

Public Member Functions

void readConfig (char *, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int)
 
void readStateInfo (int &, int &, int &, int &, int &, int &, const char *, int, int, int, int, int)
 
void simpleRangeCheck ()
 
void rangeExit (int, const char *, int)
 
void Finale (int, int, int, int, int, int)
 
void set_config_dict_fun (int *, DICT_WORD **)
 
void set_config_dict_gen (int *, DICT_WORD **)
 
void set_config_dict_rho (int *, DICT_WORD **)
 
void set_config_dict_state (int *, DICT_WORD **)
 
void set_config_dict_pc (int *, DICT_WORD **)
 
void set_config_dict_nl (int *, DICT_WORD **)
 
void set_config_dict_map (int *, DICT_WORD **)
 
void set_config_dict_nfreq (int *, DICT_WORD **)
 
void set_config_params_gen (DICT_WORD *, char *, char *)
 
void set_config_params_rho (DICT_WORD *, char *, char *, int)
 
void set_config_params_state (DICT_WORD *, char *, char *, int)
 
void set_config_params_pc (DICT_WORD *, char *, char *)
 
void set_config_params_nl (DICT_WORD *, char *, char *, int)
 
void set_config_params_map (DICT_WORD *, char *, char *)
 
void set_config_params_nfreq (DICT_WORD *, char *, char *)
 
void guesstimateParmsConfig (int, DICT_WORD *, DICT_WORD *, DICT_WORD *, DICT_WORD *, DICT_WORD *, DICT_WORD *, int, int, int)
 
int approxFactor (int nstates, int &sGrainSize, int &oGrainSize, int numPes)
 
void write_cpaimd_config (FILE *, DICT_WORD *, int, char *)
 
void load_cpaimd_config (DICT_WORD *, int, PINY_NAME *, PINY_NAME *, int, int *)
 
bool isPow2 (int input)
 

Public Attributes

int numPes
 
int numPesPerInstance
 
int nstates
 
int maxIter
 
int fftopt
 
int natm_nl
 
int natm_typ
 
int nGplane_x
 
int nRplane_x
 
int numFFTPoints
 
int numData
 
int ees_eext_opt
 
int gen_wave
 
int nchareG
 
int nchareRhoG
 
int nchareVdW
 
int scalc_per_plane
 
int UberImax
 
int UberJmax
 
int UberKmax
 
int UberMmax
 
int numInstances
 
int temperCycle
 
int nchareHartAtmT
 
int rhoLineOrder
 
int rhorHartpriority
 
int rhogHartpriority
 
int useGHartInsRhoRP
 
int useGHartInsRHart
 
int useRHartInsGHart
 
int rhorpriority
 
int rhogpriority
 
double gExpandFactRho
 
int lbdensity
 
int rhoGHelpers
 
int rhoRsubplanes
 
int rhoSubPlaneBalance
 
int rhoGToRhoRMsgComb
 
int prioEextFFTMsg
 
int useGIns0RhoRP
 
int useGIns1RhoRP
 
int useGIns2RhoRP
 
int useGIns3RhoRP
 
int useGByrdInsRhoRBP
 
int useRInsRhoGP
 
int useRInsIGXRhoGP
 
int useRInsIGYRhoGP
 
int useRInsIGZRhoGP
 
char dataPath [1024]
 
int gBucketSize
 
int rBucketSize
 
double gStreamPeriod
 
double rStreamPeriod
 
double gExpandFact
 
int stateOutput
 
int psipriority
 
int prioFFTMsg
 
int rsfftpriority
 
int gsfftpriority
 
int rsifftpriority
 
int gsifftpriority
 
int conserveMemory
 
int lbgspace
 
int doublePack
 
int useGssInsRealP
 
int useMssInsGP
 
char dataPathOut [1024]
 
int usePairDirectSend
 
int PCCollectTiles
 
int PCdelayBWSend
 
int PCstreamBWout
 
int PCstreamFWblock
 
double invsqr_tolerance
 
int invsqr_max_iter
 
int useOrthoDirect
 
int useOrthoHelpers
 
int useOrthoSection
 
int useOrthoSectionRed
 
int lambdaGrainSize
 
int PCSpanFactor
 
int OrthoRedSpanFactor
 
int OrthoMcastSpanFactor
 
int sGrainSize
 
int gemmSplitFWk
 
int gemmSplitFWm
 
int gemmSplitBW
 
int gemmSplitOrtho
 
int orthoGrainSize
 
int useBWBarrier
 
int phantomSym
 
int lbpaircalc
 
int lambdapriority
 
int toleranceInterval
 
int gSpaceSum
 
int numChunks
 
int numChunksSym
 
int numChunksAsym
 
int prioBW
 
int usePairEtoM
 
int sfpriority
 
int prioNLFFTMsg
 
int rsNLfftpriority
 
int gsNLfftpriority
 
int numSfGrps
 
int numSfDups
 
int launchNLeesFromRho
 
int useGssInsRealPP
 
int useMssInsGPP
 
int useTimeKeeper
 
int fftprogresssplit
 
int fftprogresssplitReal
 
int useCommlib
 
int useGMulticast
 
int numMulticastMsgs
 
int useCommlibMulticast
 
int atmOutput
 
int torusMap
 
int forceMappingAxis
 
int useCuboidMap
 
int useCuboidMapRS
 
int useStrictCuboid
 
int useCentroidMap
 
int useCentroidMapRho
 
int Gstates_per_pe
 
int Rstates_per_pe
 
int loadMapFiles
 
int dumpMapFiles
 
int dumpMapCoordFiles
 
int useRhoExclusionMap
 
int excludePE0
 
int useReductionExclusionMap
 
int fakeTorus
 
int torusDimNX
 
int torusDimNY
 
int torusDimNZ
 
int torusDimNT
 
int nfreq_cpintegrate
 CPINTEGRATE::CP_integrate_min_STD, CPINTEGRATE::CP_integrate_min_CG.
 
int nfreq_cplocal_hartext
 CPLOCAL::CP_hart_eext_calc.
 
int nfreq_cplocal_eeshart
 CPLOCAL::eesHartEextGchare.
 
int nfreq_cplocal_eesewald
 CPLOCAL::eesEwaldGchare.
 
int nfreq_cpnonlocal_eke
 CPNONLOCAL::CP_eke_calc.
 
int nfreq_cpnonlocal_eesfwd
 CPNONLOCAL::eesProjGchare, CPNONLOCAL::eesYlmOnD.
 
int nfreq_cpnonlocal_eesbk
 CPNONLOCAL::eesPsiForcGspace.
 
int nfreq_xcfnctl
 CPXCFNCTS::CP_exc_calc, CPXCFNCTS::CP_getGGAFunctional ////////////////////////////////=.
 

Detailed Description

Definition at line 21 of file configure.h.

The documentation for this class was generated from the following file: