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gaarakingBMY铜虫 (初入文坛)
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[求助]
vasp编译 已有2人参与
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系统：CentOS6.5 编译器：ifort2011.6.233 并行环境： openmpi1.4.4 vasp版本 ：vasp5.2.11 fftw库：3.3.4 我的问题是： 1. 我需要安装mkl数学库么？但是 我查了下 mkl 显示如附图，不知ifort是否自带了mkl数据库？ 2.编译vasPlib时 出下如下问题 不知是为何？ 附上我的 makefile： .SUFFIXES: .inc .f .F #----------------------------------------------------------------------- # Makefile for Portland Group F90/HPF compiler # the makefile was tested only under Linux on Intel platforms # however it might work on other platforms as well # # this release of vasp.4.lib contains lapack v2.0 # this can be compiled with pgf90 compiler if the option -O1 is used # # Mind: one user reported that he had to copy preclib.F diolib.F # dlexlib.F and drdatab.F to the directory vasp.4.4, compile the files # there and link them directly into vasp # for no obvious reason these files could not be linked from the library # #----------------------------------------------------------------------- # C-preprocessor CPP = gcc -E -P -C $*.F >$*.f FC=ifort CFLAGS = -O FFLAGS = -O0 -FI FREE = -FR DOBJ = preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o #----------------------------------------------------------------------- # general rules #----------------------------------------------------------------------- libdmy.a: $(DOBJ) lapack_double.o linpack_double.o lapack_atlas.o -rm libdmy.a ar vq libdmy.a $(DOBJ) # files which do not require autodouble lapack_min.o: lapack_min.f $(FC) $(FFLAGS) $(NOFREE) -c lapack_min.f lapack_double.o: lapack_double.f $(FC) $(FFLAGS) $(NOFREE) -c lapack_double.f lapack_single.o: lapack_single.f $(FC) $(FFLAGS) $(NOFREE) -c lapack_single.f lapack_atlas.o: lapack_atlas.f $(FC) $(FFLAGS) $(NOFREE) -c lapack_atlas.f linpack_double.o: linpack_double.f $(FC) $(FFLAGS) $(NOFREE) -c linpack_double.f linpack_single.o: linpack_single.f $(FC) $(FFLAGS) $(NOFREE) -c linpack_single.f .c.o: $(CC) $(CFLAGS) -c $*.c .F.o: $(CPP) $(FC) $(FFLAGS) $(FREE) $(INCS) -c $*.f .F.f: $(CPP) .f.o: $(FC) $(FFLAGS) $(FREE) $(INCS) -c $*.f 请高人指教下 谢谢.  图片1.png  图片2.png |
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gaarakingBMY
铜虫 (初入文坛)
- 应助: 4 (幼儿园)
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- 虫号: 2441263
- 注册: 2013-04-29
- 专业: 金属非晶态、准晶和纳米晶
10楼2014-09-01 14:43:43
2楼2014-08-04 10:11:53
gaarakingBMY
铜虫 (初入文坛)
- 应助: 4 (幼儿园)
- 金币: 21.8
- 帖子: 43
- 在线: 36.8小时
- 虫号: 2441263
- 注册: 2013-04-29
- 专业: 金属非晶态、准晶和纳米晶
3楼2014-08-04 10:33:31
4楼2014-08-04 10:57:10
