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xirainbow

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ÎÒʹÓÃgdbģʽ±àÒëÁËÒ»¸ö´óÐͼÆËãÈí¼þ(pwscf)
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(´Ë´¦*´ú±íij¸ö±äÁ¿µÄÃû³Æ)

ÎÒÏÖÔÚ°´s£¬È»ºó½øÈësubroutine A£¬¿ÉÒԲ鿴subroutine A×Ô¼º¶¨ÒåµÄ±äÁ¿¡£µ«ÊÇÎÞ·¨²é¿´subroutine BºÍmodule B¶¨ÒåµÄ±äÁ¿£¬ËäÈ»module BÖеıäÁ¿³öÏÖÔÚµ±Ç°µÄsubroutine AÖС£
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¸½£ºÖ÷³ÌÐò£º(Ö÷³ÌÐòµ÷Óø÷¸ömoduleºÍsubroutine£¬´ÓÊäÈëÎļþµÄ¶ÁÈ¡µ½¼ÆË㣬¶¼ÓÉmoduleºÍsubroutineÍê³ÉµÄ ¡£Ö»Óе¹ÊýµÚÎåÐÐÊǵ÷ÓÃelectrons()½øÐмÆËã)
PROGRAM pwscf
  USE io_global,        ONLY : stdout, ionode
  USE parameters,       ONLY : ntypx, npk, lmaxx
  USE global_version,   ONLY : version_number
  USE noncollin_module, ONLY : noncolin
  USE control_flags,    ONLY : conv_elec, conv_ions, lpath, lmetadyn, &
                               gamma_only
  USE io_files,         ONLY : nd_nmbr
  USE ions_base,        ONLY : tau
  USE path_variables,   ONLY : conv_path
  USE check_stop,       ONLY : check_stop_init
  USE path_base,        ONLY : initialize_path, search_mep
  USE metadyn_base,     ONLY : metadyn_init
  USE path_io_routines, ONLY : io_path_start, io_path_stop, path_summary
  IMPLICIT NONE
  ! ... local variables
  CHARACTER (LEN=9) :: code = 'PWSCF'
  CALL startup( nd_nmbr, code, version_number )
  IF ( ionode ) THEN
     WRITE(*,*) ntypx, npk, lmaxx
  END IF   
  CALL init_run()
  main_loop: DO
      CALL electrons()
      END DO main_loop
  CALL stop_run( conv_ions )
  END IF      
END PROGRAM pwscf

[ Last edited by xirainbow on 2010-5-3 at 15:01 ]
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xirainbow

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ÓàÔó³É:Õ⼸ÌìÊÇ¼ÙÆÚ£¬ÇëÄÍÐĵȴý£¡ 2010-05-03 14:48
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snoopyzhao

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

xirainbow(½ð±Ò+2): 2010-05-03 10:06
Äã±àÒëµÄʱºòÓÐûÓÐ¼Ó -g Ñ¡ÏÈç¹ûÄãʹÓÐ GCC ÄÇÌ×±àÒëÆ÷µÄ»°£©
2Â¥2010-05-03 08:51:38
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xirainbow

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by snoopyzhao at 2010-05-03 08:51:38:
Äã±àÒëµÄʱºòÓÐûÓÐ¼Ó -g Ñ¡ÏÈç¹ûÄãʹÓÐ GCC ÄÇÌ×±àÒëÆ÷µÄ»°£©

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