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gmy1990荣誉版主 (著名写手)
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[求助]
编译VASP报错，求解释！
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大家帮忙看下报错信息！谢谢了！ cp makefile.linux_ifc_P4 makefile 打开makefile文件修改FC=ifort 保存文件 make 之后的报错信息如下： ./preprocess ifort -FR -lowercase -assume byterecl -O3 -xW -tpp7 -c fftw3d.f90 fortcom: Error: fftw3d.f90, line 427: Cannot open include file 'fftw3.f' include 'fftw3.f' ---------------^ fortcom: Error: fftw3d.f90, line 436: This name does not have a type, and must have an explicit type. [FFTW_FORWARD] FFTW_FORWARD, FFTW_ESTIMATE) ---------------------------^ fortcom: Error: fftw3d.f90, line 436: This name does not have a type, and must have an explicit type. [FFTW_ESTIMATE] FFTW_FORWARD, FFTW_ESTIMATE) -----------------------------------------^ fortcom: Error: fftw3d.f90, line 440: This name does not have a type, and must have an explicit type. [FFTW_BACKWARD] FFTW_BACKWARD, FFTW_ESTIMATE) ---------------------------^ fortcom: Error: fftw3d.f90, line 456: Cannot open include file 'fftw3.f' include 'fftw3.f' ---------------^ fortcom: Error: fftw3d.f90, line 463: This name does not have a type, and must have an explicit type. [FFTW_FORWARD] FFTW_FORWARD, FFTW_EXHAUSTIVE) ---------------------------^ fortcom: Error: fftw3d.f90, line 463: This name does not have a type, and must have an explicit type. [FFTW_EXHAUSTIVE] FFTW_FORWARD, FFTW_EXHAUSTIVE) -----------------------------------------^ fortcom: Error: fftw3d.f90, line 467: This name does not have a type, and must have an explicit type. [FFTW_BACKWARD] FFTW_BACKWARD, FFTW_EXHAUSTIVE) ---------------------------^ fftw3d.f90(318) : (col. 16) remark: LOOP WAS VECTORIZED. compilation aborted for fftw3d.f90 (code 1) make: *** [fftw3d.o] Error 1 |
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mengfc
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【答案】应助回帖
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gmy1990(金币+5): 嗯，我试试，谢啦！ 2011-05-08 21:17:04
mazuju028(金币+2): 谢谢交流 2011-05-08 22:40:12
gmy1990(金币+5): 嗯，我试试，谢啦！ 2011-05-08 21:17:04
mazuju028(金币+2): 谢谢交流 2011-05-08 22:40:12
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并行编译那块的设置问题？ BLACS=$(HOME)/archives/SCALAPACK/BLACS/ SCA_=$(HOME)/archives/SCALAPACK/SCALAPACK SCA= $(SCA_)/libscalapack.a \ $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-LINUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a SCA=/opt/intel/composerxe-2011.3.174/mkl/lib/ia32/libmkl_scalapack_core.a /opt/intel/composerxe-2011.3.174/mkl/lib/ia32/libmkl_blacs_intelmpi.a #----------------------------------------------------------------------- # libraries for mpi #----------------------------------------------------------------------- #LIB = -L../vasp.4.lib -ldmy \ # ../vasp.4.lib/linpack_double.o $(LAPACK) \ # $(SCA) $(BLAS) # FFT: fftmpi.o with fft3dlib of Juergen Furthmueller FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o ##这里改改试一下？ # fftw.3.0.1 is slighly faster and should be used if available #FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /opt/intel/composerxe-2011.3.174/mkl/interfaces/fftw3xf/libfftw3xf_intel.a |
3楼2011-05-08 21:14:59
mengfc
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5楼2011-05-08 22:02:24
mengfc
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★ ★
gmy1990(金币+5): 谢谢！ 2011-05-09 14:12:23
franch(金币+2, 1ST强帖+1): 2011-05-09 17:23:28
gmy1990(金币+5): 谢谢！ 2011-05-09 14:12:23
franch(金币+2, 1ST强帖+1): 2011-05-09 17:23:28
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sorry i cannot type chinese now. OFLAG=-O3 -xW -tpp7 #delete '-tpp7' and have a try #----------------------------------------------------------------------- # fft libraries: # VASP.4.6 can use fftw.3.0.X (http://www.fftw.org) # since this version is faster on P4 machines, we recommend to use it #----------------------------------------------------------------------- #FFT3D = fft3dfurth.o fft3dlib.o FFT3D = fftw3d.o fft3dlib.o /opt/libs/fftw-3.2.2/lib/libfftw3.a #here i am not sure what the usage of the this option. i used to try to cancel this option using '#',and succeeded. #FC=mpif77 #FCL=$(FC) #----------------------------------------------------------------------- # additional options for CPP in parallel version (see also above): # NGZhalf charge density reduced in Z direction # wNGZhalf gamma point only reduced in Z direction # scaLAPACK use scaLAPACK (usually slower on 100 Mbit Net) #----------------------------------------------------------------------- #CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC \ # -Dkind8 -DNGZhalf -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \ # -DMPI_BLOCK=500 \ ## -DRPROMU_DGEMV -DRACCMU_DGEMV #----------------------------------------------------------------------- # location of SCALAPACK # if you do not use SCALAPACK simply uncomment the line SCA #----------------------------------------------------------------------- BLACS=$(HOME)/archives/SCALAPACK/BLACS/ SCA_=$(HOME)/archives/SCALAPACK/SCALAPACK #----------------------------------------------------------------------- # libraries for mpi #----------------------------------------------------------------------- #LIB = -L../vasp.4.lib -ldmy \ # ../vasp.4.lib/linpack_double.o $(LAPACK) \ # $(SCA) $(BLAS) # FFT: fftmpi.o with fft3dlib of Juergen Furthmueller #FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o # fftw.3.2.2 is slighly faster and should be used if available #FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /opt/libs/fftw-3.2.2/lib/libfftw3.a as for these ,do you install mpi? if so, you should have some changes and i advise you to refer to my makefile http://muchong.com/bbs/viewthread.php?tid=3142492 good luck. |
10楼2011-05-09 14:06:22
mengfc
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12楼2011-05-09 14:27:33
mengfc
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franch(金币+2): 谢谢回帖交流 2011-05-09 21:08:27
gmy1990(金币+10): 谢谢啊！ 2011-05-09 22:58:31
franch(金币+2): 谢谢回帖交流 2011-05-09 21:08:27
gmy1990(金币+10): 谢谢啊！ 2011-05-09 22:58:31
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所需文件 l_fc_p_9.1.032.tar.gz l_cluster_mkl_p_8.0.022.tgz 编译器和数学库的license（ NCOM_L_CMP_FOR_NJ24-HBKJM779.lic commercial_clmkl_l_LRC5-V5PV4BXT.lic ） as i know, the compiler and the mkl must be the same version. you can download the newest version-ifort from the http://software.intel.com including the intel mkl. 4 进入放文件的目录 cd 解压vasp.4.6.28.climb.tar.gz 和 vasp.4.6.lib.tar 进入 vasp.4.6.lib cp makefile.linux_pg makefile 产生libdmy.a 也没有初出现报错！ here the 4th step. as you mentioned in the txt file, you are using the ifc compiler so here you should cp makefile.linux_ makefile_ifc_P4 makefile and change the compiler option in the makefile. and i didn't install fftw-3.2.2.tar.gz as said on the 10th floor ,so i cannot give you more advise.sorry. |
14楼2011-05-09 19:19:22
mengfc
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15楼2011-05-09 23:00:14