rem dos-type runscript for GAMESS 2009.01 R3
rem オリジナルはGAMESS09R3付属のrunscript.csh

rem set input parameters

set JOB=%1
set VERNO=%2
set NCPUS=%3
set SCR=%4\scratch
set SCK=%4\temp

rem set environment parameters

set GMSPATH=%4

set ERICFMT=%GMSPATH%\ericfmt.dat
set MCPPATH=%GMSPATH%\mcpdata
set EXTBAS=%GMSPATH%\basis.lib

set MAKEFP=%SCR%\%JOB%.efp
set GAMMA=%SCR%\%JOB%.gamma
set TRAJECT=%SCR%\%JOB%.trj
set RESTART=%SCR%\%JOB%.rst
set INPUT=%SCR%\%JOB%.F05
set PUNCH=%SCK%\%JOB%.dat
set AOINTS=%SCR%\%JOB%.F08
set MOINTS=%SCR%\%JOB%.F09
set DICTNRY=%SCR%\%JOB%.F10
set DRTFILE=%SCR%\%JOB%.F11
set CIVECTR=%SCR%\%JOB%.F12
set CASINTS=%SCR%\%JOB%.F13
set CIINTS=%SCR%\%JOB%.F14
set WORK15=%SCR%\%JOB%.F15
set WORK16=%SCR%\%JOB%.F16
set CSFSAVE=%SCR%\%JOB%.F17
set FOCKDER=%SCR%\%JOB%.F18
set WORK19=%SCR%\%JOB%.F19
set DASORT=%SCR%\%JOB%.F20
set DFTINTS=%SCR%\%JOB%.F21
set DFTGRID=%SCR%\%JOB%.F22
set JKFILE=%SCR%\%JOB%.F23
set ORDINT=%SCR%\%JOB%.F24
set EFPIND=%SCR%\%JOB%.F25
set PCMDATA=%SCR%\%JOB%.F26
set PCMINTS=%SCR%\%JOB%.F27
set SVPWRK1=%SCR%\%JOB%.F26
set SVPWRK2=%SCR%\%JOB%.F27
set MLTPL=%SCR%\%JOB%.F28
set MLTPLT=%SCR%\%JOB%.F29
set DAFL30=%SCR%\%JOB%.F30
set SOINTX=%SCR%\%JOB%.F31
set SOINTY=%SCR%\%JOB%.F32
set SOINTZ=%SCR%\%JOB%.F33
set SORESC=%SCR%\%JOB%.F34

set GCILIST=%SCR%\%JOB%.F37
set HESSIAN=%SCR%\%JOB%.F38
set QMMMTEI=%SCR%\%JOB%.F39
set SOCCDAT=%SCR%\%JOB%.F40
set AABB41=%SCR%\%JOB%.F41
set BBAA42=%SCR%\%JOB%.F42
set BBBB43=%SCR%\%JOB%.F43
set MCQD50=%SCR%\%JOB%.F50
set MCQD51=%SCR%\%JOB%.F51
set MCQD52=%SCR%\%JOB%.F52
set MCQD53=%SCR%\%JOB%.F53
set MCQD54=%SCR%\%JOB%.F54
set MCQD55=%SCR%\%JOB%.F55
set MCQD56=%SCR%\%JOB%.F56
set MCQD57=%SCR%\%JOB%.F57
set MCQD58=%SCR%\%JOB%.F58
set MCQD59=%SCR%\%JOB%.F59
set MCQD60=%SCR%\%JOB%.F60
set MCQD61=%SCR%\%JOB%.F61
set MCQD62=%SCR%\%JOB%.F62
set MCQD63=%SCR%\%JOB%.F63
set MCQD64=%SCR%\%JOB%.F64
set NMRINT1=%SCR%\%JOB%.F61
set NMRINT2=%SCR%\%JOB%.F62
set NMRINT3=%SCR%\%JOB%.F63
set NMRINT4=%SCR%\%JOB%.F64
set NMRINT5=%SCR%\%JOB%.F65
set NMRINT6=%SCR%\%JOB%.F66
set DCPHFH2=%SCR%\%JOB%.F67
set DCPHF21=%SCR%\%JOB%.F68
set ELNUINT=%SCR%\%JOB%.F67
set NUNUINT=%SCR%\%JOB%.F68
set GVVPT=%SCR%\%JOB%.F69
set NUMOIN=%SCR%\%JOB%.F69
set NUMOCAS=%SCR%\%JOB%.F70
set NUELMO=%SCR%\%JOB%.F71
set NUELCAS=%SCR%\%JOB%.F72

set GMCREF=%SCR%\%JOB%.F70
set GMCO2R=%SCR%\%JOB%.F71
set GMCROC=%SCR%\%JOB%.F72
set GMCOOC=%SCR%\%JOB%.F73
set GMCCC0=%SCR%\%JOB%.F74
set GMCHMA=%SCR%\%JOB%.F75
set GMCEI1=%SCR%\%JOB%.F76
set GMCEI2=%SCR%\%JOB%.F77
set GMCEOB=%SCR%\%JOB%.F78
set GMCEDT=%SCR%\%JOB%.F79
set GMCERF=%SCR%\%JOB%.F80
set GMCHCR=%SCR%\%JOB%.F81
set GMCGJK=%SCR%\%JOB%.F82
set GMCGAI=%SCR%\%JOB%.F83
set GMCGEO=%SCR%\%JOB%.F84
set GMCTE1=%SCR%\%JOB%.F85
set GMCTE2=%SCR%\%JOB%.F86
set GMCHEF=%SCR%\%JOB%.F87
set GMCMOL=%SCR%\%JOB%.F88
set GMCMOS=%SCR%\%JOB%.F89
set GMCWGT=%SCR%\%JOB%.F90
set GMCRM2=%SCR%\%JOB%.F91
set GMCRM1=%SCR%\%JOB%.F92
set GMCR00=%SCR%\%JOB%.F93
set GMCRP1=%SCR%\%JOB%.F94
set GMCRP2=%SCR%\%JOB%.F95
set GMCVEF=%SCR%\%JOB%.F96
set GMCDIN=%SCR%\%JOB%.F97
set GMC2SZ=%SCR%\%JOB%.F98
set GMCCCS=%SCR%\%JOB%.F99

set CCREST=%SCR%\%JOB%.F70
set CCDIIS=%SCR%\%JOB%.F71
set CCINTS=%SCR%\%JOB%.F72
set CCT1AMP=%SCR%\%JOB%.F73
set CCT2AMP=%SCR%\%JOB%.F74
set CCT3AMP=%SCR%\%JOB%.F75
set CCVM=%SCR%\%JOB%.F76
set CCVE=%SCR%\%JOB%.F77
set CCQUADS=%SCR%\%JOB%.F78
set QUADSVO=%SCR%\%JOB%.F79
set EOMSTAR=%SCR%\%JOB%.F80
set EOMVEC1=%SCR%\%JOB%.F81
set EOMVEC2=%SCR%\%JOB%.F82
set EOMHC1=%SCR%\%JOB%.F83
set EOMHC2=%SCR%\%JOB%.F84
set EOMHHHH=%SCR%\%JOB%.F85
set EOMPPPP=%SCR%\%JOB%.F86
set EOMRAMP=%SCR%\%JOB%.F87
set EOMRTMP=%SCR%\%JOB%.F88
set EOMDG12=%SCR%\%JOB%.F89
set MMPP=%SCR%\%JOB%.F90
set MMHPP=%SCR%\%JOB%.F91
set MMCIVEC=%SCR%\%JOB%.F92
set MMCIVC1=%SCR%\%JOB%.F93
set MMCIITR=%SCR%\%JOB%.F94
set EOMVL1=%SCR%\%JOB%.F95
set EOMVL2=%SCR%\%JOB%.F96
set EOMLVEC=%SCR%\%JOB%.F97
set EOMHL1=%SCR%\%JOB%.F98
set EOMHL2=%SCR%\%JOB%.F99
set CCVVVV=%SCR%\%JOB%.F80

set AMPROCC=%SCR%\%JOB%.F70
set ITOPNCC=%SCR%\%JOB%.F71
set FOCKMTX=%SCR%\%JOB%.F72
set LAMB23=%SCR%\%JOB%.F73
set VHHAA=%SCR%\%JOB%.F74
set VHHBB=%SCR%\%JOB%.F75
set VHHAB=%SCR%\%JOB%.F76
set VMAA=%SCR%\%JOB%.F77
set VMBB=%SCR%\%JOB%.F78
set VMAB=%SCR%\%JOB%.F79
set VMBA=%SCR%\%JOB%.F80
set VHPRAA=%SCR%\%JOB%.F81
set VHPRBB=%SCR%\%JOB%.F82
set VHPRAB=%SCR%\%JOB%.F83
set VHPLAA=%SCR%\%JOB%.F84
set VHPLBB=%SCR%\%JOB%.F85
set VHPLAB=%SCR%\%JOB%.F86
set VHPLBA=%SCR%\%JOB%.F87
set VEAA=%SCR%\%JOB%.F88
set VEBB=%SCR%\%JOB%.F89
set VEAB=%SCR%\%JOB%.F90
set VEBA=%SCR%\%JOB%.F91
set VPPPP=%SCR%\%JOB%.F92
set INTERM1=%SCR%\%JOB%.F93
set INTERM2=%SCR%\%JOB%.F94
set INTERM3=%SCR%\%JOB%.F95

set OLI201=%SCR%\%JOB%.F201
set OLI202=%SCR%\%JOB%.F202
set OLI203=%SCR%\%JOB%.F203
set OLI204=%SCR%\%JOB%.F204
set OLI205=%SCR%\%JOB%.F205
set OLI206=%SCR%\%JOB%.F206
set OLI207=%SCR%\%JOB%.F207
set OLI208=%SCR%\%JOB%.F208
set OLI209=%SCR%\%JOB%.F209
set OLI210=%SCR%\%JOB%.F210
set OLI211=%SCR%\%JOB%.F211
set OLI212=%SCR%\%JOB%.F212
set OLI213=%SCR%\%JOB%.F213
set OLI214=%SCR%\%JOB%.F214
set OLI215=%SCR%\%JOB%.F215
set OLI216=%SCR%\%JOB%.F216
set OLI217=%SCR%\%JOB%.F217
set OLI218=%SCR%\%JOB%.F218
set OLI219=%SCR%\%JOB%.F219
set OLI220=%SCR%\%JOB%.F220
set OLI221=%SCR%\%JOB%.F221
set OLI222=%SCR%\%JOB%.F222
set OLI223=%SCR%\%JOB%.F223
set OLI224=%SCR%\%JOB%.F224
set OLI225=%SCR%\%JOB%.F225
set OLI226=%SCR%\%JOB%.F226
set OLI227=%SCR%\%JOB%.F227
set OLI228=%SCR%\%JOB%.F228
set OLI229=%SCR%\%JOB%.F229
set OLI230=%SCR%\%JOB%.F230
set OLI231=%SCR%\%JOB%.F231
set OLI232=%SCR%\%JOB%.F232
set OLI233=%SCR%\%JOB%.F233
set OLI234=%SCR%\%JOB%.F234
set OLI235=%SCR%\%JOB%.F235
set OLI236=%SCR%\%JOB%.F236
set OLI237=%SCR%\%JOB%.F237
set OLI238=%SCR%\%JOB%.F238
set OLI239=%SCR%\%JOB%.F239

set DCSUB=%SCR%\%JOB%.F250
set DCVEC=%SCR%\%JOB%.F251
set DCEIG=%SCR%\%JOB%.F252
set DCDM=%SCR%\%JOB%.F253
set DCDMO=%SCR%\%JOB%.F254
set DCQ=%SCR%\%JOB%.F255
set DCW=%SCR%\%JOB%.F256
set DCEDM=%SCR%\%JOB%.F257

set LHYPWRK=%SCR%\%JOB%.F297
set LHYPWK2=%SCR%\%JOB%.F298
set BONDDPF=%SCR%\%JOB%.F299

rem parallel run setting

if %NCPUS%==1 (goto 1proc)
if %NCPUS%==2 (goto 2proc)
if %NCPUS%==3 (goto 3proc)
if %NCPUS%==4 (goto 4proc)

:1proc
%GMSPATH%\ddikick.exe %GMSPATH%\gamess.%VERNO%.exe %JOB% -ddi 1 1 localhost -scr %SCR%
goto finish

:2proc
%GMSPATH%\ddikick.exe %GMSPATH%\gamess.%VERNO%.exe %JOB% -ddi 2 2 localhost localhost -scr %SCR%
goto finish

:3proc
%GMSPATH%\ddikick.exe %GMSPATH%\gamess.%VERNO%.exe %JOB% -ddi 3 3 localhost localhost localhost -scr %SCR%
goto finish

:4proc
%GMSPATH%\ddikick.exe %GMSPATH%\gamess.%VERNO%.exe %JOB% -ddi 4 4 localhost localhost localhost localhost -scr %SCR%
goto finish

:finish