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huangpu2009鐵蟲 (小有名氣)
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[求助]
Siesta 3.1編譯出錯(cuò),按照張老師的視頻進(jìn)行的,麻煩大家?guī)蛶兔,謝謝。
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剛開始學(xué),按照老師的視頻編譯時(shí), 最后報(bào)錯(cuò),cannot find -lmkl_solver 看了下lib文件夾下面,好像沒這個(gè)文件呀,我用的是intel_parallel_xe_2013版的。 求教一下,謝謝~~~~ |
ATK和電子輸運(yùn) |
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這個(gè)不影響,現(xiàn)在新版MKL有變化。 #MKL MKLPATH=/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 #自己修改 SUGGESTED_LIBS=$(MKLPATH)/libmkl_scalapack_lp64.a \ -Wl,--start-group \ $(MKLPATH)/libmkl_intel_lp64.a \ $(MKLPATH)/libmkl_sequential.a \ $(MKLPATH)/libmkl_core.a \ $(MKLPATH)/libmkl_blacs_openmpi_lp64.a \ -Wl,--end-group \ -lpthread -lm |

至尊木蟲 (職業(yè)作家)
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# # This file is part of the SIESTA package. # # Copyright (c) Fundacion General Universidad Autonoma de Madrid: # E.Artacho, J.Gale, A.Garcia, J.Junquera, P.Ordejon, D.Sanchez-Portal # and J.M.Soler, 1996- . # # Use of this software constitutes agreement with the full conditions # given in the SIESTA license, as signed by all legitimate users. # .SUFFIXES: .SUFFIXES: .f .F .o .a .f90 .F90 SIESTA_ARCH=x86_64-unknown-linux-gnu--unknown FPP= FPP_OUTPUT= FC=mpif90 RANLIB=ranlib SYS=nag SP_KIND=4 DP_KIND=8 KINDS=$(SP_KIND) $(DP_KIND) FFLAGS=-g -O2 FPPFLAGS=-DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT LDFLAGS= FFLAGS_DEBUG= -g -O2 # whatever options you might need,guohuazhong DUMMY_FOX= --enable-dummy # whatever options you might need,guohuazhong ARFLAGS_EXTRA= FCFLAGS_fixed_f= FCFLAGS_free_f90= FPPFLAGS_fixed_F= FPPFLAGS_free_F90= #BLAS_LIBS=libblas.a #LAPACK_LIBS=dc_lapack.a liblapack.a #BLACS_LIBS= #SCALAPACK_LIBS= ######BLAS_LIBS=-L/opt/intel/Compiler/11.1/059/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_lapack -lmkl_core -lguide -pthread ######LAPACK_LIBS=-L/opt/intel/Compiler/11.1/059/mkl/lib/em64t -lmkl_sequential -lmkl_core -pthread ######BLACS_LIBS=-L/opt/intel/Compiler/11.1/059/mkl/lib/em64t -lmkl_blacs_openmpi_lp64 -pthread ######SCALAPACK_LIBS=-L/opt/intel/Compiler/11.1/059/mkl/lib/em64t -lmkl_scalapack_lp64 -pthread #######################SCA=-L/opt/intel/Compiler/11.1/059/mkl/lib/em64t -lmkl_blacs_intelmpi_lp64 -lmkl_scalapack_lp64 SCA=${MKLPATH}/libmkl_scalapack_lp64.a ${MKLPATH}/libmkl_solver_lp64_sequential.a -Wl,--start-group ${MKLPATH}/libmkl_intel_lp64.a ${MKLPATH}/libmkl_sequential.a ${MKLPATH}/libmkl_core.a ${MKLPATH}/libmkl_blacs_openmpi_lp64.a -Wl,--end-group -lpthread #################BLAS=-L/opt/intel/Compiler/11.1/059/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_blas95_lp64 -lmkl_sequential -lmkl_lapack95_lp64 -lmkl_core #-lguide -pthread ################LAPACK=-L/opt/intel/Compiler/11.1/059/mkl/lib/em64t -lmkl_sequential -lmkl_lapack95_lp64 -lmkl_core #-pthread -lguide MKLINCLUDE=/opt/intel/Compiler/11.1/059/mkl/include MKLPATH=/opt/intel/Compiler/11.1/059/mkl/lib/em64t BLAS_LIBS=-L${MKLPATH} -I${MKLINCLUDE} -I${MKLINCLUDE}/em64t/lp64 -lmkl_blas95_lp64 -Wl,--start-group ${MKLPATH}/libmkl_intel_lp64.a ${MKLPATH}/libmkl_sequential.a ${MKLPATH}/libmkl_core.a -Wl,--end-group -lpthread LAPACK_LIBS=-L${MKLPATH} -I${MKLINCLUDE} -I${MKLINCLUDE}/em64t/lp64 -lmkl_lapack95_lp64 -Wl,--start-group ${MKLPATH}/libmkl_intel_lp64.a ${MKLPATH}/libmkl_sequential.a ${MKLPATH}/libmkl_core.a -Wl,--end-group -lpthread #COMP_LIBS=dc_lapack.a liblapack.a libblas.a NETCDF_LIBS= NETCDF_INTERFACE= LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS) $(NETCDF_LIBS) $(SCA) #SIESTA needs an F90 interface to MPI #This will give you SIESTA's own implementation #If your compiler vendor offers an alternative, you may change #to it here. MPI_INTERFACE=libmpi_f90.a MPI_INCLUDE=/opt/openmpi-1.6.3/include #Dependency rules are created by autoconf according to whether #discrete preprocessing is necessary or not. .F.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $< .F90.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90) $< .f.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f) $< .f90.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90) $< 用上面給你arch.make,我想基本上可以編譯通過了,只要你用的是intel的編譯器,當(dāng)然得修改相應(yīng)的庫,我用的是intel 11.1.059版本。 |
鐵蟲 (小有名氣)
銀蟲 (小有名氣)

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