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c03185新虫 (小有名气)
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[求助]
关于超级计算机的安装权限问题：不能用sudo命令，该如何是好？
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关于超级计算机的安装权限问题：不能用sudo命令，该如何是好？ 如果用sudo命令，提示没有权限。怎样才能在自己的账户路径下安装VASP？ |
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c03185
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$make libem64t compiler=intel 执行以后，出现以下错误： make lib _IA=em64t make[1]: Entering directory `/vsc-mounts/bern-apps/intel/mkl/10.2.5.035/interfaces/fftw3xf' rm -rf /tmp/tmp.ATzbWoQ7Dv mkdir -p /tmp/tmp.ATzbWoQ7Dv icc -vec-report0 -I/apps/bern/intel/ictce/3.2.1.015/mkl/10.1.0.015/include -I/apps/bern/intel/ictce/3.2.1.015/mkl/10.1.0.015/include/fftw -c wrappers/fftw_cleanup.c -o /tmp/tmp.ATzbWoQ7Dv/fftw_cleanup.o wrappers/fftw_cleanup.c(26): catastrophic error: could not open source file "fftw3_mkl.h" #include "fftw3_mkl.h" ^ compilation aborted for wrappers/fftw_cleanup.c (code 4) make[1]: *** [/tmp/tmp.ATzbWoQ7Dv/fftw_cleanup.o] 错误 4 make[1]: Leaving directory `/vsc-mounts/bern-apps/intel/mkl/10.2.5.035/interfaces/fftw3xf' make: *** [libem64t] 错误 2 VASP.4.6 目录下，make以后，出现以下错误： vsc30587@login1:~/vasp/vasp.4.6> make mpiifort -I/apps/bern/intel/ictce/3.2.1.015/mkl/10.2.0.013/include/fftw –FR –lower_case -c -o smart_allocate.o smart_allocate.f : error #5149: Illegal character in statement label field [M] : error #5149: Illegal character in statement label field [O] : error #5149: Illegal character in statement label field [D] : error #5149: Illegal character in statement label field [U] : error #5149: Illegal character in statement label field [L] : error #5118: First statement in file must not be continued smart_allocate.f(46): error #5149: Illegal character in statement label field [U] USE prec --^ smart_allocate.f(46): error #5149: Illegal character in statement label field [S] USE prec ---^ smart_allocate.f(46): error #5149: Illegal character in statement label field [E] USE prec ----^ smart_allocate.f(45): error #5082: Syntax error, found END-OF-STATEMENT when expecting one of: ( %% : . = => MODULE smart_allocate ---------------------^ smart_allocate.f(47): error #5149: Illegal character in statement label field [I] IMPLICIT NONE --^ smart_allocate.f(47): error #5149: Illegal character in statement label field [M] IMPLICIT NONE ---^ smart_allocate.f(47): error #5149: Illegal character in statement label field [P] IMPLICIT NONE ----^ smart_allocate.f(48): error #5149: Illegal character in statement label field [C] CONTAINS --^ smart_allocate.f(48): error #5149: Illegal character in statement label field [O] CONTAINS ---^ smart_allocate.f(48): error #5149: Illegal character in statement label field [N] CONTAINS ----^ smart_allocate.f(50): error #5149: Illegal character in statement label field [S] SUBROUTINE SMART_ALLOCATE_REAL(A,N) --^ smart_allocate.f(50): error #5149: Illegal character in statement label field [U] SUBROUTINE SMART_ALLOCATE_REAL(A,N) ---^ smart_allocate.f(50): error #5149: Illegal character in statement label field [B] SUBROUTINE SMART_ALLOCATE_REAL(A,N) ----^ smart_allocate.f(51): error #5149: Illegal character in statement label field [R] REAL(q),POINTER :: A(  ----^ smart_allocate.f(52): error #5149: Illegal character in statement label field [I] INTEGER N ----^ smart_allocate.f(54): error #5149: Illegal character in statement label field [I] IF (ASSOCIATED(A)) THEN ----^ smart_allocate.f(51): error #5082: Syntax error, found IDENTIFIER 'AL' when expecting one of: ( %% . = => REAL(q),POINTER :: A( ------^ smart_allocate.f(52): error #5082: Syntax error, found IDENTIFIER 'TEGERN' when expecting one of: ( * ) :: , INTEGER N ------^ smart_allocate.f(54): error #5082: Syntax error, found IDENTIFIER 'THEN' when expecting one of: ( * ) :: , IF (ASSOCIATED(A)) THEN -----------------------^ smart_allocate.f(58): error #5149: Illegal character in statement label field [E] ENDIF ----^ smart_allocate.f(59): error #5149: Illegal character in statement label field [I] IF (.NOT. ASSOCIATED(A)) THEN ----^ (60): catastrophic error: Too many errors, exiting compilation aborted for smart_allocate.f (code 1) make: *** [smart_allocate.o] 错误 1 |
14楼2012-04-14 04:20:33
ahu1221
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2楼2012-04-12 17:22:48
c03185
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3楼2012-04-12 17:31:51
ahu1221
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【答案】应助回帖
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liliangfang: 金币+2, 多谢指教 2012-04-13 08:36:52
liliangfang: 金币+2, 多谢指教 2012-04-13 08:36:52
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安装fortran编译器是需要管理员权限的，我相信你们超算那边会有这种编译器的，如果没有你可以下载好后找到他，然后让他帮你安装，我们这边装的intel fortran是放在opt里面的，好像默认也是在这个文件夹里面的。如果你们超算还装了intel的mpi就更好了，你可以直接设置你的环境变量，然后进行vasp的编译，如果没有intel的mpi，你可以自己下载opmpi进行配置安装到/opt里面。然后修改环境变量，进行vasp编译。可以这样修改环境变量，以我刚刚说的安装软件的位子为例vi .bashrc然后 export PATH=$PATH:/opt/openmpi/bin export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/mkl/lib/em64:/opt/openmpi/lib 然后就可以修改vasp的makefile，就可以编译了 |
4楼2012-04-12 21:24:12