| ²é¿´: 1691 | »Ø¸´: 4 | ||
superriceľ³æ (ÕýʽдÊÖ)
|
[ÇóÖú]
Fortran90 ±àÒ벻ͨ¹ý ÒÑÓÐ2È˲ÎÓë
|
|
ÇëÎÊ´óÉñÊÇʲôÇé¿ö£¬»¹ÓÐÔõôÄܰÑÄǸöÌÖÑáµÄĬÈϱíÇé¿ì½Ý¼ü¸øÈ¥µô°¡ subroutine laplacian(f, lapl) implicit none real(8), intent(in) :: f(N, N) ! function whose laplacian is to be taken real(8), intent(out) :: lapl(N, N) ! the laplacian lapl = 0.0_8 integer :: ix, iy, k integer, parameter :: order = 4 real(8), allocatable :: c( ![]() allocate(c(-order rder))c(-order rder) = (/ & ! The coefficients of the laplacian...-1.785714d-3, 2.539683d-2, -0.2d0, 1.6d0, & -2.847222d0, & 1.6d0, -0.2d0, 2.539683d-2, -1.785714d-3 /) do ix = 1, N do iy = 1, N lapl(ix, iy) = (0.0_8, 0.0_8) do k = -order, order if(iy+k>=1 .and. iy+k<=N) lapl(ix, iy) = lapl(ix, iy) + c(k)*f(ix, iy+k) if(ix+k>=1 .and. ix+k<=N) lapl(ix, iy) = lapl(ix, iy) + c(k)*f(ix+k, iy) end do end do end do lapl = lapl/delta**2 ´íÎó£º integer :: ix, iy, k 1 Error: Unexpected data declaration statement at (1) mesh.f90:129.33: integer, parameter :: order = 4 1 Error: Unexpected data declaration statement at (1) mesh.f90:130.30: real(8), allocatable :: c( ![]() 1 Error: Unexpected data declaration statement at (1) mesh.f90:133.12: allocate(c(-order rder))1 Error: Syntax error in ALLOCATE statement at (1) mesh.f90:134.2: c(-order rder) = (/ & ! The coefficients of the laplacian...1 Error: Unclassifiable statement at (1) mesh.f90:181.22: integer :: ix, iy, k 1 Error: Unexpected data declaration statement at (1) mesh.f90:183.33: integer, parameter :: order = 4 1 Error: Unexpected data declaration statement at (1) mesh.f90:184.30: real(8), allocatable :: c( ![]() 1 Error: Unexpected data declaration statement at (1) mesh.f90:186.12: allocate(c(-order rder))1 Error: Syntax error in ALLOCATE statement at (1) mesh.f90:187.2: c(-order rder) = (/ & ! The coefficients of the laplacian...1 Error: Unclassifiable statement at (1) mesh.f90:192.7: do ix = 1, N 1 Error: Symbol 'ix' at (1) has no IMPLICIT type mesh.f90:193.9: do iy = 1, N 1 Error: Symbol 'iy' at (1) has no IMPLICIT type mesh.f90:195.10: do k = -order, order 1 Error: Symbol 'k' at (1) has no IMPLICIT type mesh.f90:195.19: do k = -order, order 1 Error: Symbol 'order' at (1) has no IMPLICIT type mesh.f90:140.7: do ix = 1, N 1 Error: Symbol 'ix' at (1) has no IMPLICIT type mesh.f90:141.9: do iy = 1, N 1 Error: Symbol 'iy' at (1) has no IMPLICIT type mesh.f90:143.10: do k = -order, order 1 Error: Symbol 'k' at (1) has no IMPLICIT type mesh.f90:143.19: do k = -order, order 1 Error: Symbol 'order' at (1) has no IMPLICIT type make[2]: *** [mesh.o] Error 1 make[2]: Leaving directory `/public/home/qishengzhang/chaowang/script/qd-0.1.0/src' make[1]: *** [all-recursive] Error 1 make[1]: Leaving directory `/public/home/qishengzhang/chaowang/script/qd-0.1.0' make: *** [all] Error 2 |
» ²ÂÄãϲ»¶
Сľ³æÃ»ÂäÁË£¬³ýÁËÆíµ»Ìû×Ó£¬¼¸ºõ¿´²»µ½ÓмÛÖµµÄÌû×Ó
ÒѾÓÐ15È˻ظ´
ÃæÉϵÄË®ºÜÉî
ÒѾÓÐ18È˻ظ´
¹úÉç¿ÆÍ¨Ñ¶ÆÀÉó
ÒѾÓÐ5È˻ظ´
5¸ö%2F£¬·Ç¹Ì¶¨¶Î22¸ö×Öĸ
ÒѾÓÐ9È˻ظ´
ÉúÃü¿ÚC13ÃæÉÏ»áÆÀʱ¼ä
ÒѾÓÐ11È˻ظ´
ÄÚÐÄØÑ·¦
ÒѾÓÐ16È˻ظ´
ÉúÃü¿ÚÃæÉÏ»áÆÀ½áÊøÁËÂð´ó¼ÒÓÐÖªµÀ½á¹ûÂð£¿ÏÖÔÚ»¹Ã»Óнá¹ûÕý³£²»£¿
ÒѾÓÐ9È˻ظ´
ͶӢÎÄÆÚ¿¯ÈçºÎ²éÖØ
ÒѾÓÐ6È˻ظ´
²»ÒªÔÙÊý¹ú×ÔÈ»ÉêÇëÊéµÄ filecode µÄ·Ö¸ô·û¸öÊýÁË
ÒѾÓÐ21È˻ظ´
²®°·Éϼ׻ùÇóÖú
ÒѾÓÐ7È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
ÔÚFortran³ÌÐòÖУ¬×Ô¶¨Òå´òÓ¡Êý¾ÝÁÐÊýµÄÈýÖÖ·½·¨
ÒѾÓÐ8È˻ظ´
vasp 5.2 °²×°¹ý³Ì (´®ÐÐ+²¢ÐУ©+(32λ+64λ) + ifort +intel MKL+ openmpi
ÒѾÓÐ47È˻ظ´
vasp ±àÒëÖ÷³ÌÐòʱºò³ö´í£¬ÇóºÃÐÄÈË¿´Ò»ÏÂ
ÒѾÓÐ17È˻ظ´
¹ØÓÚ VASP µÄ±àÒë¾Ñé·ÖÏí
ÒѾÓÐ16È˻ظ´
½ô¼±ÇóÖú---VASP.5.2±àÒë
ÒѾÓÐ16È˻ظ´
vasp.5.2±àÒë³ö´í£¬¹òÇó½â¾ö°ì·¨£¡
ÒѾÓÐ10È˻ظ´
ÉîÛÚ³¬ËãÖÐÐÄvasp±àÒë¼°ÈÎÎñÌá½»ÎÊÌâ
ÒѾÓÐ25È˻ظ´
ÓÃMPIF90±àÒëºóµÄSiesta²¢Ðгö´í£¬´®ÐÐûÊ¡¡
ÒѾÓÐ1È˻ظ´
[VASP±àÒë]Îå MakefileÖÐfortran FlagsµÄ½âÊÍ
ÒѾÓÐ18È˻ظ´
»Ø´ðһЩ¹ØÓÚMultiwfnµÄÒÉÎÊÒÔ¼°Î´À´MultiwfnµÄ·¢Õ¹´òËã
ÒѾÓÐ37È˻ظ´
Dalton2011²¢ÐбàÒëÏê¼Ç
ÒѾÓÐ33È˻ظ´
¡¾pwzhou¸öÈËÎ¿Molpro 2010.1 PL20 ²¢ÐбàÒë
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿FORTRAN±àÒëͨ¹ý£¬µ«ÊÇÔËÐв»ÁË
ÒѾÓÐ19È˻ظ´
¡¾Ô´´¡¿ÓÃpgi10.0±àÒëvasp5.2
ÒѾÓÐ12È˻ظ´
δ°¶ÍöÁé
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
ÔÝʱÀ뿪Сľ³æ
- Ó¦Öú: 622 (²©Ê¿)
- ½ð±Ò: 6519.3
- É¢½ð: 1221
- ºì»¨: 111
- Ìû×Ó: 1345
- ÔÚÏß: 517.8Сʱ
- ³æºÅ: 1730773
- ×¢²á: 2012-04-01
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
2Â¥2016-09-26 15:22:18
|
|
3Â¥2016-09-26 16:00:26
Â©ÍøÖ®Óæ
Ìú³æ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 4
- Ìû×Ó: 3
- ÔÚÏß: 6Сʱ
- ³æºÅ: 2206318
- ×¢²á: 2012-12-25
- רҵ: ¹ÌÌåÁ¦Ñ§
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
|
N,deltaû¶¨Ò壬Óï¾ä˳ÐòÎÊÌ⣺ subroutine laplacian(f,lapl,N,delta) implicit none integer :: N,ix,iy,k real(8):: delta real(8),intent(in) :: f(N,N) ! function whose laplacian is to be taken real(8),intent(out) :: lapl(N,N) ! the laplacian integer,parameter :: order = 4 real(8),allocatable:: C( ![]() lapl = 0.0_8 allocate(c(order+order+1)) c(-order rder) = (/ & ! The coefficients of the laplacian...-1.785714d-3,2.539683d-2,-0.2d0,1.6d0, & -2.847222d0, & 1.6d0,-0.2d0,2.539683d-2,-1.785714d-3 /) do ix = 1,N do iy = 1,N lapl(ix,iy) = (0.0_8,0.0_8) do k = -order,order if(iy+k>=1 .and. iy+k<=N) lapl(ix,iy) = lapl(ix,iy) + c(k)*f(ix,iy+k) if(ix+k>=1 .and. ix+k<=N) lapl(ix,iy) = lapl(ix,iy) + c(k)*f(ix+k,iy) end do end do end do lapl = lapl/delta**2 end |
4Â¥2016-10-02 11:25:05
Â©ÍøÖ®Óæ
Ìú³æ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 4
- Ìû×Ó: 3
- ÔÚÏß: 6Сʱ
- ³æºÅ: 2206318
- ×¢²á: 2012-12-25
- רҵ: ¹ÌÌåÁ¦Ñ§
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
ϵͳ°Ñ"£º"ºÍ" "£¬ÒÔ¼°"£º"Óë"o" ºÏ²¢³É±íÇé·ûºÅÁË£¬ÔÚðºÅºóÃæ¼ÓÉϿոñ¾Í¿É±ÜÃâ¡£subroutine laplacian(f,lapl,N,delta) implicit none integer :: N,ix,iy,k real(8):: delta real(8),intent(in) :: f(N,N) ! function whose laplacian is to be taken real(8),intent(out) :: lapl(N,N) ! the laplacian integer,parameter :: order = 4 real(8),allocatable:: C(: ) lapl = 0.0_8 allocate(c(order+order+1)) c(-order: order) = (/ & ! The coefficients of the laplacian... -1.785714d-3,2.539683d-2,-0.2d0,1.6d0, & -2.847222d0, & 1.6d0,-0.2d0,2.539683d-2,-1.785714d-3 /) do ix = 1,N do iy = 1,N lapl(ix,iy) = (0.0_8,0.0_8) do k = -order,order if(iy+k>=1 .and. iy+k<=N) lapl(ix,iy) = lapl(ix,iy) + c(k)*f(ix,iy+k) if(ix+k>=1 .and. ix+k<=N) lapl(ix,iy) = lapl(ix,iy) + c(k)*f(ix+k,iy) end do end do end do lapl = lapl/delta**2 end |
5Â¥2016-10-02 11:39:58












rder))
»Ø¸´´ËÂ¥
"£¬ÒÔ¼°"£º"Óë"o" ºÏ²¢³É±íÇé·ûºÅÁË£¬ÔÚðºÅºóÃæ¼ÓÉϿոñ¾Í¿É±ÜÃâ¡£
10