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[求助]
siesta-3.1编译成功，但有几个问题求助
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ifort12.1+openmpi-1.4.5+siesta-3.1 centos 6.2 问题一 arch.make文件里 FFLAGS=？（怎么设置？） 看到网上帖子有： FFLAGS=-O2 -mp1 -pad -ip FFLAGS=-O2 -i-static FFLAGS=-g -O2 等 请教各位前辈，这后面值应该怎么写？或者在哪能找到相关信息？ 问题二 库 BLAS_LIBS= LAPACK_LIBS= BLACS_LIBS= SCALAPACK_LIBS= 请教各位前辈，都需要填哪些库？我看大家写的都不完全一样？哪些库是必须的，顺序应该怎样？ 还有-lguide -pthread -openmp 这几个应该加在哪？ 谢谢! [ 来自科研家族 Solar Cells 之家 ] |
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问题一： FFLAGS= -O3 -m64 -prec-div -pc80 -pad -ip -i-static 问题二： ifort安装目录：/opt/intel/composer_xe_2011_sp1.9.293/ BLAS_LIBS=-L/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64 -lmkl_solver_lp64 -lmkl_intel_lp64 LAPACK_LIBS=-L/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64 -lmkl_sequential -lmkl_core BLACS_LIBS=-L/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64 -lmkl_blacs_openmpi_lp64 SCALAPACK_LIBS=-L/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64 -lmkl_scalapack_lp64 |
8楼2012-05-02 16:26:38
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找到一个： $ ifort -help opt Optimization ------------ -O1 optimize for maximum speed, but disable some optimizations which increase code size for a small speed benefit -O2 optimize for maximum speed (DEFAULT) -O3 optimize for maximum speed and enable more aggressive optimizations that may not improve performance on some programs -O same as -O2 -Os enable speed optimizations, but disable some optimizations which increase code size for small speed benefit -O0 disable optimizations -fast enable -xHOST -O3 -ipo -no-prec-div -static options set by -fast cannot be overridden with the exception of -xHOST, list options separately to change behavior -Ofast enable -O3 -no-prec-div optimizations -fno-alias assume no aliasing in program -fno-fnalias assume no aliasing within functions, but assume aliasing across calls -nolib-inline disable inline expansion of intrinsic functions |
2楼2012-04-14 22:53:27
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感谢参与，应助指数 +1
liliangfang: 金币-1, 违规存档, 非应助请勿选择应助回帖 2012-04-17 09:09:08
zzy870720z: 应助指数-1, 扣回应助指数，下次注意 2012-04-20 12:17:08
感谢参与，应助指数 +1
liliangfang: 金币-1, 违规存档, 非应助请勿选择应助回帖 2012-04-17 09:09:08
zzy870720z: 应助指数-1, 扣回应助指数，下次注意 2012-04-20 12:17:08
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3楼2012-04-17 08:56:04
lemonare
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【答案】应助回帖
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感谢参与，应助指数 +1
fzx2008: 金币+1, 谢谢回帖交流！ 2012-04-25 16:00:53
love5264: 回帖置顶 2012-04-26 20:36:19
love5264: 金币+10, ★★★很有帮助, 感谢你的回复! 2012-04-26 20:36:59
love5264: 取消置顶 2012-05-02 16:27:03
感谢参与，应助指数 +1
fzx2008: 金币+1, 谢谢回帖交流！ 2012-04-25 16:00:53
love5264: 回帖置顶 2012-04-26 20:36:19
love5264: 金币+10, ★★★很有帮助, 感谢你的回复! 2012-04-26 20:36:59
love5264: 取消置顶 2012-05-02 16:27:03
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这是我在网上找到的： FFLAGS=-O3 -ipo -xHost -ip -prec-div -prec-sqrt -opt-prefetch -mkl=parallel Do not use -g ( you cant debug, but if you havnt had use for it, then why use it?  )Do not use -mp, it is a deprecated option and there are other flags that should perform better. For instance -prec-div -prec-sqrt. -ipo will make the compile time a much longer process when linking in the final step, i have seen little performance gain from this. -xHost should be used if the machine you compile on is the same as the excution nodes. Otherwise you should use -xSSE3 (E5000 has this). The last -mkl=parallel enables the mkl library to use parallel execution on some of the routines (notice that this option will not affect blacs as it is already parallelised.). I have had better runs with it! But be aware that you have to set the OMP_NUM_THREADS=x, otherwise it will use all available cores on the machine. |
4楼2012-04-25 15:58:57
guohuazhong
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love52645楼2012-04-25 17:50:13
6楼2012-04-26 20:38:34
★ ★
zzy870720z: 金币+2, 鼓励发表解决方案，呵呵 2012-05-02 18:02:47
zzy870720z: 金币+2, 鼓励发表解决方案，呵呵 2012-05-02 18:02:47
7楼2012-05-02 15:51:39
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