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[求助]
新手vasp安装求助
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c@c-VirtualBox:~/vasp/vasp.5.lib$ cp makefile.linux_ifc_P4 makefile c@c-VirtualBox:~/vasp/vasp.5.lib$ make gcc -E -P -C preclib.F >preclib.f ifort -O0 -FI -FR -c preclib.f cc -O -c timing_.c cc -O -c derrf_.c cc -O -c dclock_.c gcc -E -P -C diolib.F >diolib.f ifort -O0 -FI -FR -c diolib.f gcc -E -P -C dlexlib.F >dlexlib.f ifort -O0 -FI -FR -c dlexlib.f gcc -E -P -C drdatab.F >drdatab.f ifort -O0 -FI -FR -c drdatab.f ifort -O0 -FI -c lapack_double.f lapack_double.f(10179): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR -------------------------^ lapack_double.f(10181): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR --------------------------^ lapack_double.f(20692): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR -------------------------^ lapack_double.f(20694): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR --------------------------^ lapack_double.f(20706): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR ----------------------------^ lapack_double.f(20708): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR -----------------------------^ lapack_double.f(20733): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR -------------------------^ lapack_double.f(20735): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR --------------------------^ ifort -O0 -FI -c linpack_double.f ifort -O0 -FI -c lapack_atlas.f lapack_atlas.f(12864): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR -------------------------^ lapack_atlas.f(12866): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR --------------------------^ lapack_atlas.f(18861): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR -------------------------^ lapack_atlas.f(18863): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR --------------------------^ lapack_atlas.f(18875): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR ----------------------------^ lapack_atlas.f(18877): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR -----------------------------^ lapack_atlas.f(18902): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR -------------------------^ lapack_atlas.f(18904): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR --------------------------^ rm libdmy.a rm: 无法删除"libdmy.a": 没有那个文件或目录 make: [libdmy.a] 错误 1 (忽略) ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o ar: creating libdmy.a a - preclib.o a - timing_.o a - derrf_.o a - dclock_.o a - diolib.o a - dlexlib.o a - drdatab.o 已经生成libdmy.a 高手帮我看看整个过程中5140那些是否会影响后面对vasp的编译 |
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送鲜花一朵 |
得到libdmy.a了，大侠你的意思是在5.lib下删除.o的文件吗？接着在vasp.5下make？ 还有我现在就是ifort 和自带的mkl 把mkl里的fftw3xf 用make libia32 compiler=gnu 后得到libfftw3xf-gnu.a文件放入到……/mkl/lib/ia32下了 在.bashrc中 设置为source /opt/intel/composer_xe_2013.0.079/bin/compilervars.sh ia32 source /opt/intel/composer_xe_2013.0.079/mkl/bin/mklvars.sh ia32 后面就是把5.2中的makefile 改为FC=ifort 把BLAS= /opt/libs/libgoto/libgoto.so 删去了 把 LAPACK= ../vasp.5.lib/lapack_double.o删去了 # mkl.10.0 # set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines #BLAS=-L/opt/intel/mkl100/lib/em64t -lmkl -lpthread 此处加上mkl的路径 在 # use the mkl Intel lapack #LAPACK= -lmkl_lapack 后面加上 mkl的路径 这样串行有问题吗？ 两个问题麻烦大侠了 |
6楼2012-10-23 23:32:09
2楼2012-10-23 00:24:49
souledge
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3楼2012-10-23 08:55:30
送鲜花一朵 |
我看别人的没有这个部分…… lapack_double.f(10179): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR -------------------------^ lapack_double.f(10181): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR --------------------------^ lapack_double.f(20692): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR -------------------------^ lapack_double.f(20694): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR --------------------------^ lapack_double.f(20706): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR ----------------------------^ lapack_double.f(20708): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR -----------------------------^ lapack_double.f(20733): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR -------------------------^ lapack_double.f(20735): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR --------------------------^ ifort -O0 -FI -c linpack_double.f ifort -O0 -FI -c lapack_atlas.f lapack_atlas.f(12864): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR -------------------------^ lapack_atlas.f(12866): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR --------------------------^ lapack_atlas.f(18861): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR -------------------------^ lapack_atlas.f(18863): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR --------------------------^ lapack_atlas.f(18875): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR ----------------------------^ lapack_atlas.f(18877): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR -----------------------------^ lapack_atlas.f(18902): remark #5140: Unrecognized directive CDIR$ NEXTSCALAR -------------------------^ lapack_atlas.f(18904): remark #5140: Unrecognized directive CDIR$ NEXT SCALAR --------------------------^ 然后我编译5.2的makefile的时候出现的是：LAPACK= ../vasp.5.lib/lapack_double.o make后出现如下问题： ………………………………………………………… lapack_double.f:(.text+0x801ea): undefined reference to `dgemv_' lapack_double.f:(.text+0x802ed): undefined reference to `dgemv_' lapack_double.f:(.text+0x80549): undefined reference to `dgemv_' lapack_double.f:(.text+0x80658): undefined reference to `dgemv_' lapack_double.f:(.text+0x80770): undefined reference to `dgemv_' ../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x8087f): more undefined references to `dgemv_' follow ../vasp.5.lib/lapack_double.o: In function `dlabrd_': lapack_double.f:(.text+0x80a14): undefined reference to `dscal_' lapack_double.f:(.text+0x80b21): undefined reference to `dgemv_' lapack_double.f:(.text+0x80c3b): undefined reference to `dgemv_' lapack_double.f:(.text+0x80eae): undefined reference to `dgemv_' lapack_double.f:(.text+0x80fb0): undefined reference to `dgemv_' lapack_double.f:(.text+0x810b1): undefined reference to `dgemv_' ../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x811ba): more undefined references to `dgemv_' follow ../vasp.5.lib/lapack_double.o: In function `dlabrd_': lapack_double.f:(.text+0x81341): undefined reference to `dscal_' lapack_double.f:(.text+0x81480): undefined reference to `dgemv_' lapack_double.f:(.text+0x81581): undefined reference to `dgemv_' lapack_double.f:(.text+0x817d9): undefined reference to `dgemv_' lapack_double.f:(.text+0x818e7): undefined reference to `dgemv_' lapack_double.f:(.text+0x819ff): undefined reference to `dgemv_' ../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x81b07): more undefined references to `dgemv_' follow ../vasp.5.lib/lapack_double.o: In function `dlabrd_': lapack_double.f:(.text+0x81ca0): undefined reference to `dscal_' lapack_double.f:(.text+0x81dbd): undefined reference to `dgemv_' lapack_double.f:(.text+0x81ec4): undefined reference to `dgemv_' lapack_double.f:(.text+0x82127): undefined reference to `dgemv_' lapack_double.f:(.text+0x82233): undefined reference to `dgemv_' lapack_double.f:(.text+0x8233f): undefined reference to `dgemv_' ../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x82440): more undefined references to `dgemv_' follow ../vasp.5.lib/lapack_double.o: In function `dlabrd_': lapack_double.f:(.text+0x825b8): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `dlasq1_': lapack_double.f:(.text+0x82cb7): undefined reference to `dcopy_' lapack_double.f:(.text+0x82d02): undefined reference to `dcopy_' ../vasp.5.lib/lapack_double.o: In function `dorgl2_': lapack_double.f:(.text+0x88f36): undefined reference to `dscal_' make: *** [vasp] Error 1 大侠帮我看看该怎么解决 谢谢 |
4楼2012-10-23 13:00:22
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