²é¿´: 2956  |  »Ø¸´: 9
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

lemonare

гæ (СÓÐÃûÆø)


[½»Á÷] ifort£¨mpiifort£©²¢ÐбàÒësiesta

ÒòΪа²×°ÁËIntel ifort12£¬³¢ÊÔÓÃopenmpi+ifort12±àÒësiesta£¬×ÜÓÐÎÊÌ⣬ºóÀ´¾Í³¢ÊÔÓÃintel×Ô´ø²¢ÐбàÒëÆ÷mpiifort±àÒ룬½á¹û·¢ÏÖ¿ÉÒÔÓ㬶øÇÒ¼ÆËã²¢ÐÐЧÂʺܸߣ¬ÏÖÔÚ°ÑÎÒµÄarch.makeÌù³öÀ´£¬¹©´ó¼Ò²Î¿¼£¬ÓÐÐËȤµÄ»°£¬¿ÉÒÔÊÔÊÔ£¬´ó¼Ò½»Á÷һϣº

#
# This file is part of the SIESTA package.
#
# Copyright (c) Fundacion General Universidad Autonoma de Madrid:
# E.Artacho, J.Gale, A.Garcia, J.Junquera, P.Ordejon, D.Sanchez-Portal
# and J.M.Soler, 1996- .
#
# Use of this software constitutes agreement with the full conditions
# given in the SIESTA license, as signed by all legitimate users.
#
.SUFFIXES:
.SUFFIXES: .f .F .o .a .f90 .F90

SIESTA_ARCH=x86_64-ifort12-mpiifort

FPP=
FPP_OUTPUT=
FC=mpiifort
FC_SERIAL=ifort
RANLIB=ranlib

SYS=nag

SP_KIND=4
DP_KIND=8
KINDS=$(SP_KIND) $(DP_KIND)

FFLAGS=-I/share/apps/intel/mkl/include -I/share/apps/intel/mkl/include/intel64/lp64 -g -O2
FPPFLAGS= -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DMPI -DGRID_DP -DPHI_GRID_SP
LDFLAGS=

ARFLAGS_EXTRA=

FCFLAGS_fixed_f=
FCFLAGS_free_f90=
FPPFLAGS_fixed_F=
FPPFLAGS_free_F90=

BLAS_LIBS=-L/share/apps/intel/mkl/lib/intel64 -lmkl_solver_lp64 -lmkl_intel_lp64 -lpthread -limf -lm
LAPACK_LIBS=-L/share/apps/intel/mkl/lib/intel64 -lmkl_sequential -lmkl_core
BLACS_LIBS=-L/share/apps/intel/mkl/lib/intel64 -lmkl_blacs_intelmpi_lp64
SCALAPACK_LIBS=-L/share/apps/intel/mkl/lib/intel64 -lmkl_scalapack_lp64

COMP_LIBS=

NETCDF_LIBS=
NETCDF_INTERFACE=

LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS) $(NETCDF_LIBS)

#SIESTA needs an F90 interface to MPI
#This will give you SIESTA's own implementation
#If your compiler vendor offers an alternative, you may change
#to it here.
MPI_INTERFACE=libmpi_f90.a
MPI_INCLUDE=/share/apps/intel/impi/4.0.3.008/intel64/include

#Dependency rules are created by autoconf according to whether
#discrete preprocessing is necessary or not.
.F.o:
        $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F)  $<
.F90.o:
        $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90) $<
.f.o:
        $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f)  $<
.f90.o:
        $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90)  $<
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

vasp¼ÆËã×ÊÁÏ ATKºÍµç×ÓÊäÔË µÚÒ»ÐÔÔ­Àí

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

arsc

½ð³æ (СÓÐÃûÆø)


¡ï
lemonare(½ð±Ò+1): лл²ÎÓë
ŒWУÓõÄÊÇÅf°æIFORT£¬µ«ÊÇÎÒÒ²Ä܉òÓÃËü¼°ICC?í¾ŽÀ[OPEN MPI 1.6¡£
6Â¥2012-05-29 17:20:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 10 ¸ö»Ø´ð
¡ï
lemonare(½ð±Ò+1): лл²ÎÓë
ÏÖÔÚ×îеİ汾ifortÀïÃæÓÐmpi×é¼þ£¿
3Â¥2012-05-29 15:10:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lemonare

гæ (СÓÐÃûÆø)


ÒýÓûØÌû:
3Â¥: Originally posted by zhangguangping at 2012-05-29 15:10:17
ÏÖÔÚ×îеİ汾ifortÀïÃæÓÐmpi×é¼þ£¿

ÎÒÃÇÊÇ×Ô¼ºÂòµÄÕý°æÈí¼þ£¬²»ÊÇ·ÇÉÌÒµ°æ±¾£¬impiÎļþ¼Ð¶ÔÓ¦µÄ¾ÍÊÇmpi×é¼þ£¬²»ÖªµÀÄãÓÐûÓС£
4Â¥2012-05-29 15:52:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lemonare

гæ (СÓÐÃûÆø)


ÒýÓûØÌû:
3Â¥: Originally posted by zhangguangping at 2012-05-29 15:10:17
ÏÖÔÚ×îеİ汾ifortÀïÃæÓÐmpi×é¼þ£¿

ÎÒÃÇÊÇ×Ô¼ºÂòµÄÕý°æÈí¼þ£¬²»ÊÇ·ÇÉÌÒµ°æ±¾£¬impiÎļþ¼Ð¶ÔÓ¦µÄ¾ÍÊÇmpi×é¼þ£¬²»ÖªµÀÄãÓÐûÓС£
5Â¥2012-05-29 15:52:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 275Çóµ÷¼Á +4 Micky11223 2026-03-25 6/300 2026-03-26 08:52 by Ìá³ö·½·¨µÄÌá³öº
[¿¼ÑÐ] 292Çóµ÷¼Á +7 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-25 8/400 2026-03-26 00:22 by Dyhoer
[¿¼ÑÐ] ÍøÂç¿Õ¼ä°²È«0839Õе÷¼Á +4 w320357296 2026-03-25 6/300 2026-03-25 17:59 by 255671
[¿¼ÑÐ] ¡¾2026¿¼Ñе÷¼Á¡¿ÖÆÒ©¹¤³Ì 284·Ö ÇóÏà¹Ø×¨Òµµ÷¼ÁÃû¶î +4 Ô¬Û¼Û¼ 2026-03-25 8/400 2026-03-25 14:32 by lbsjt
[¿¼ÑÐ] 285Çóµ÷¼Á +3 AZMK 2026-03-24 3/150 2026-03-25 12:23 by userper
[¿¼ÑÐ] 293Çóµ÷¼Á +7 ¼ÓÒ»Ò»¾Å 2026-03-24 7/350 2026-03-25 12:02 by userper
[¿¼ÑÐ] 0854µç×ÓÐÅÏ¢Çóµ÷¼Á 324 +4 Promise-jyl 2026-03-23 4/200 2026-03-25 11:36 by Sugarlight
[¿¼ÑÐ] 300·Ö£¬²ÄÁÏ£¬Çóµ÷¼Á£¬Ó¢Ò»Êý¶þ +5 ³¬ÔÞµÄ 2026-03-24 5/250 2026-03-24 21:07 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á£¬Çóµ¼Ê¦ÊÕ +7 ÌìÌìºÃÔËÀ´Éϰ¶° 2026-03-24 7/350 2026-03-24 20:26 by peike
[¿¼ÑÐ] 085404µç×ÓÐÅÏ¢284·ÖÇóµ÷¼Á +4 13659058978 2026-03-24 4/200 2026-03-24 12:15 by syl20081243
[¿¼ÑÐ] 384Çóµ÷¼Á +3 ×Óϵ²© 2026-03-22 6/300 2026-03-23 21:45 by ×Óϵ²©
[ÂÛÎÄͶ¸å] ¼±·¢ºËÐÄÆÚ¿¯ÂÛÎÄ +3 ÏÍ´ïÎʽò 2026-03-23 5/250 2026-03-23 17:13 by ÃÃ×Ó²»ºÃÈÇ
[¿¼ÑÐ] 293Çóµ÷¼Á +3 ÌÎÌÎWjt 2026-03-22 5/250 2026-03-22 22:21 by jiangpengfei
[¿¼ÑÐ] ʯºÓ×Ó´óѧ£¨211¡¢Ë«Ò»Á÷£©Ë¶²©Ñо¿Éú³¤ÆÚÕÐÉú¹«¸æ +3 Àî×ÓÄ¿ 2026-03-22 3/150 2026-03-22 21:01 by ÔõôÊÍ»³
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤085600£¬×Ü·Ö304£¬±¾¿ÆÓÐÁ½Æªsci²ÎÓ룬Çóµ÷¼Á +4 ÐÒÔ˵Ľ´½´ 2026-03-22 5/250 2026-03-22 20:15 by edmund7
[¿¼ÑÐ] 260Çóµ÷¼Á +3 ÖìÜÆÁÕ 2026-03-20 4/200 2026-03-22 15:12 by ÖìÜÆÁÕ
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖпƼ¼´óѧ071000£¬Çóµ÷¼Á +4 ÑØ°¶Óб´¿Ç6 2026-03-21 4/200 2026-03-22 07:21 by ilovexiaobin
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á +5 @taotao 2026-03-21 5/250 2026-03-21 20:55 by lbsjt
[¿¼ÑÐ] 0805²ÄÁÏ320Çóµ÷¼Á +3 ÉÎïÓï 2026-03-20 3/150 2026-03-21 15:46 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 295¸´ÊÔµ÷¼Á +8 ¼òľChuFront 2026-03-19 8/400 2026-03-20 20:44 by zhukairuo
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û