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installation error-make file Date: 2020/06/02 21:04 Name: deniz Hello dear OpenMX Community I'm trying to install openmx3.9 in ubuntu. I have tried a lot with different makefile. makefile: CC = mpicc -O3 -fopenmp -Dkcomp -ffast-math -I/usr/local/include -I/home/z/Desktop/fftw-install/include -I/home/z/Desktop/mpich-install/include FC = mpif90 -O3 -fopenmp -Dkcomp -ffast-math -I/usr/local -I/home/z/Desktop/fftw-install/include -I/home/z/Desktop/mpich-install/include LIB= -lscalapack -llapack -lblas -lfftw3 -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi -lmpi_mpifh -lgfortran error: /usr/bin/ld: cannot find -lscalapack collect2: error: ld returned 1 exit status makefile:185: recipe for target 'openmx' failed make: *** [openmx] Error 1 could anybody help me to overcome this problem?

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Re: installation error-make file ( No.1 ) Date: 2020/06/02 22:19 Name: Naoya Yamaguchi Dear deniz, The error message says that "libscalapack.so" is not found. Please try the following: http://www.openmx-square.org/forum/patio.cgi?mode=view&no=2640 Regards, Naoya Yamaguchi Re: installation error-make file ( No.2 ) Date: 2020/06/03 06:17 Name: deniz Output for the command of $ apt list --installed | grep mpi : WARNING: apt does not have a stable CLI interface. Use with caution in scripts. compiz/now 1:0.9.12.2+16.04.20160714-0ubuntu1 all [installed,upgradable to: 1:0.9.12.3+16.04.20180221-0ubuntu1] compiz-core/now 1:0.9.12.2+16.04.20160714-0ubuntu1 amd64 [installed,upgradable to: 1:0.9.12.3+16.04.20180221-0ubuntu1] compiz-gnome/now 1:0.9.12.2+16.04.20160714-0ubuntu1 amd64 [installed,upgradable to: 1:0.9.12.3+16.04.20180221-0ubuntu1] compiz-plugins-default/now 1:0.9.12.2+16.04.20160714-0ubuntu1 amd64 [installed,upgradable to: 1:0.9.12.3+16.04.20180221-0ubuntu1] libblacs-mpi-dev/xenial,now 1.1-33.3 amd64 [installed,automatic] libblacs-openmpi1/xenial,now 1.1-33.3 amd64 [installed,automatic] libcompizconfig0/now 1:0.9.12.2+16.04.20160714-0ubuntu1 amd64 [installed,upgradable to: 1:0.9.12.3+16.04.20180221-0ubuntu1] libexempi3/xenial-updates,xenial-security,now 2.2.2-2ubuntu0.1 amd64 [installed,automatic] libmpich-dev/xenial,now 3.2-6build1 amd64 [installed] libmpich12/xenial,now 3.2-6build1 amd64 [installed,automatic] libopenmpi-dev/xenial,now 1.10.2-8ubuntu1 amd64 [installed] libopenmpi1.10/xenial,now 1.10.2-8ubuntu1 amd64 [installed,automatic] libscalapack-mpi-dev/xenial,now 1.8.0-12.3 amd64 [installed] libscalapack-openmpi1/xenial,now 1.8.0-12.3 amd64 [installed,automatic] mpi-default-bin/xenial,now 1.4 amd64 [installed,automatic] mpi-default-dev/xenial,now 1.4 amd64 [installed,automatic] mpich/xenial,now 3.2-6build1 amd64 [installed] openmpi-bin/xenial,now 1.10.2-8ubuntu1 amd64 [installed] openmpi-common/xenial,xenial,now 1.10.2-8ubuntu1 all [installed,automatic] openmpi-doc/xenial,xenial,now 1.10.2-8ubuntu1 all [installed] and output for the command of $ ls -l /usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi.so ls: cannot access '/usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi.so': No such file or directory $ ls -l /usr/lib/x86_64-linux-gnu/openmpi/lib/ ls: cannot access '/usr/lib/x86_64-linux-gnu/openmpi/lib/': No such file or directory Re: installation error-make file ( No.3 ) Date: 2020/06/03 18:03 Name: Naoya Yamaguchi Dear deniz, Please try either command written in No.9 of the thread. $ sudo apt --reinstall install libopenmpi-dev Or, $ sudo apt --purge remove libopenmpi-dev; sudo apt install libopenmpi-dev libopenmpi-dev/xenial,now 1.10.2-8ubuntu1 amd64 [installed] It seems that "libopenmpi-dev" was installed in the past, and I guess that your problem is the same as that shown in the thread. "libopenmpi-dev" seems broken, and the solution may also be the same. Regards, Naoya Yamaguchi Re: installation error-make file ( No.4 ) Date: 2020/06/03 16:50 Name: deniz Dear Naoya yamaguchi Thank you very much for your response. I run this command: $ sudo apt --purge remove libopenmpi-dev; sudo apt install libopenmpi-dev but I still see the same error. now with the following makefile: CC = mpicc -O3 -fopenmp -Dkcomp -ffast-math -I/usr/include -I/home/z/Desktop/fftw-install/include -I/home/z/Desktop/mpich-install/include FC = mpif90 -O3 -fopenmp -Dkcomp -ffast-math -I/usr/include -I/home/z/Desktop/fftw-install/include -I/home/z/Desktop/mpich-install/include LIB= -llapack -lblas -lfftw3 -L/usr/lib/x86_64-linux-gnu/openmpi/lib -L/home/z/Desktop/mpich-install/lib -lmpi -lmpifort -lmpicxx -lgfortran ****************************************** Error: DFT.o: In function `Allocate_Free_Band_Col': DFT.c:(.text+0x191f): undefined reference to `Cfree_blacs_system_handle' DFT.c:(.text+0x192c): undefined reference to `Cblacs_gridexit' DFT.c:(.text+0x195d): undefined reference to `Cfree_blacs_system_handle' DFT.c:(.text+0x196a): undefined reference to `Cblacs_gridexit' DFT.c:(.text+0x24db): undefined reference to `numroc_' DFT.c:(.text+0x2500): undefined reference to `numroc_' DFT.c:(.text+0x251e): undefined reference to `Csys2blacs_handle' DFT.c:(.text+0x2547): undefined reference to `Cblacs_gridinit' DFT.c:(.text+0x26a1): undefined reference to `descinit_' DFT.c:(.text+0x26d2): undefined reference to `descinit_' DFT.c:(.text+0x2703): undefined reference to `descinit_' DFT.c:(.text+0x2876): undefined reference to `numroc_' DFT.c:(.text+0x289b): undefined reference to `numroc_' DFT.c:(.text+0x28b9): undefined reference to `Csys2blacs_handle' DFT.c:(.text+0x28e2): undefined reference to `Cblacs_gridinit' DFT.c:(.text+0x29c7): undefined reference to `descinit_' DFT.c:(.text+0x29f8): undefined reference to `descinit_' DFT.c:(.text+0x2a29): undefined reference to `descinit_' DFT.o: In function `Allocate_Free_Cluster_Col': DFT.c:(.text+0x37d5): undefined reference to `numroc_' DFT.c:(.text+0x37fa): undefined reference to `numroc_' DFT.c:(.text+0x3818): undefined reference to `Csys2blacs_handle' DFT.c:(.text+0x3841): undefined reference to `Cblacs_gridinit' DFT.c:(.text+0x392a): undefined reference to `descinit_' DFT.c:(.text+0x395a): undefined reference to `descinit_' DFT.c:(.text+0x398a): undefined reference to `descinit_' DFT.c:(.text+0x3b70): undefined reference to `Cfree_blacs_system_handle' DFT.c:(.text+0x3b7d): undefined reference to `Cblacs_gridexit' DFT.o: In function `Allocate_Free_Cluster_NonCol': DFT.c:(.text+0x4215): undefined reference to `numroc_' DFT.c:(.text+0x423a): undefined reference to `numroc_' DFT.c:(.text+0x424d): undefined reference to `Csys2blacs_handle' DFT.c:(.text+0x4276): undefined reference to `Cblacs_gridinit' DFT.c:(.text+0x4395): undefined reference to `descinit_' DFT.c:(.text+0x43c6): undefined reference to `descinit_' DFT.c:(.text+0x43f7): undefined reference to `descinit_' DFT.c:(.text+0x456e): undefined reference to `numroc_' DFT.c:(.text+0x4593): undefined reference to `numroc_' DFT.c:(.text+0x45a6): undefined reference to `Csys2blacs_handle' DFT.c:(.text+0x45cf): undefined reference to `Cblacs_gridinit' DFT.c:(.text+0x469e): undefined reference to `descinit_' DFT.c:(.text+0x46cf): undefined reference to `descinit_' DFT.c:(.text+0x4700): undefined reference to `descinit_' DFT.c:(.text+0x483d): undefined reference to `Cfree_blacs_system_handle' DFT.c:(.text+0x484a): undefined reference to `Cblacs_gridexit' DFT.c:(.text+0x487b): undefined reference to `Cfree_blacs_system_handle' DFT.c:(.text+0x4888): undefined reference to `Cblacs_gridexit' DFT.o: In function `DFT': DFT.c:(.text+0xa3ea): undefined reference to `Cfree_blacs_system_handle' DFT.c:(.text+0xa3f7): undefined reference to `Cblacs_gridexit' DFT.c:(.text+0xa428): undefined reference to `Cfree_blacs_system_handle' DFT.c:(.text+0xa435): undefined reference to `Cblacs_gridexit' DFT.c:(.text+0xc2da): undefined reference to `Cfree_blacs_system_handle' DFT.c:(.text+0xc2e7): undefined reference to `Cblacs_gridexit' Cluster_DFT_Col.o: In function `Cluster_DFT_Col': Cluster_DFT_Col.c:(.text+0x1b39): undefined reference to `Cblacs_barrier' Cluster_DFT_Col.c:(.text+0x1b92): undefined reference to `pdgemm_' Cluster_DFT_Col.c:(.text+0x1bd0): undefined reference to `Cblacs_barrier' Cluster_DFT_Col.c:(.text+0x1c28): undefined reference to `pdgemm_' Cluster_DFT_Col.c:(.text+0x1d2f): undefined reference to `Cblacs_barrier' Cluster_DFT_Col.c:(.text+0x1d88): undefined reference to `pdgemm_' Cluster_DFT_NonCol.o: In function `Cluster_DFT_NonCol': Cluster_DFT_NonCol.c:(.text+0x1983): undefined reference to `pdgemm_' Cluster_DFT_NonCol.c:(.text+0x19c1): undefined reference to `Cblacs_barrier' Cluster_DFT_NonCol.c:(.text+0x1a08): undefined reference to `pdgemm_' Cluster_DFT_NonCol.c:(.text+0x1a44): undefined reference to `Cblacs_barrier' Cluster_DFT_NonCol.c:(.text+0x1a8c): undefined reference to `pdgemm_' Cluster_DFT_NonCol.c:(.text+0x1aca): undefined reference to `Cblacs_barrier' Cluster_DFT_NonCol.c:(.text+0x1b14): undefined reference to `pdgemm_' Cluster_DFT_NonCol.c:(.text+0x1cd1): undefined reference to `Cblacs_barrier' Cluster_DFT_NonCol.c:(.text+0x1d21): undefined reference to `pzgemm_' Band_DFT_Col.o: In function `Band_DFT_Col': Band_DFT_Col.c:(.text+0x27ab): undefined reference to `Cblacs_barrier' Band_DFT_Col.c:(.text+0x280d): undefined reference to `pzgemm_' Band_DFT_Col.c:(.text+0x2862): undefined reference to `Cblacs_barrier' Band_DFT_Col.c:(.text+0x28c3): undefined reference to `pzgemm_' Band_DFT_Col.c:(.text+0x4e55): undefined reference to `Cblacs_barrier' Band_DFT_Col.c:(.text+0x4eb7): undefined reference to `pzgemm_' Band_DFT_Col.c:(.text+0x4f0c): undefined reference to `Cblacs_barrier' Band_DFT_Col.c:(.text+0x4f6d): undefined reference to `pzgemm_' Band_DFT_Col.c:(.text+0x5191): undefined reference to `pzgemm_' Band_DFT_Col.c:(.text+0x51a7): undefined reference to `Cblacs_barrier' Band_DFT_Col.c:(.text+0x66d6): undefined reference to `pzgemm_' Band_DFT_Col.c:(.text+0x66f4): undefined reference to `Cblacs_barrier' Band_DFT_NonCol.o: In function `Band_DFT_NonCol': Band_DFT_NonCol.c:(.text+0x6d54): undefined reference to `Cblacs_barrier' Band_DFT_NonCol.c:(.text+0x6da4): undefined reference to `pzgemm_' TRAN_DFT.o: In function `TRAN_DFT': TRAN_DFT.c:(.text+0x2957): undefined reference to `numroc_' TRAN_DFT.c:(.text+0x297f): undefined reference to `numroc_' TRAN_DFT.c:(.text+0x2998): undefined reference to `Csys2blacs_handle' TRAN_DFT.c:(.text+0x29c1): undefined reference to `Cblacs_gridinit' TRAN_DFT.c:(.text+0x2ac0): undefined reference to `descinit_' TRAN_DFT.c:(.text+0x2b04): undefined reference to `descinit_' TRAN_DFT.c:(.text+0x2b40): undefined reference to `descinit_' TRAN_DFT.c:(.text+0x2f9c): undefined reference to `Cfree_blacs_system_handle' TRAN_DFT.c:(.text+0x2fa9): undefined reference to `Cblacs_gridexit' TRAN_DFT_NC.o: In function `TRAN_DFT_NC': TRAN_DFT_NC.c:(.text+0x35ec): undefined reference to `numroc_' TRAN_DFT_NC.c:(.text+0x3614): undefined reference to `numroc_' TRAN_DFT_NC.c:(.text+0x362d): undefined reference to `Csys2blacs_handle' TRAN_DFT_NC.c:(.text+0x3656): undefined reference to `Cblacs_gridinit' TRAN_DFT_NC.c:(.text+0x37c8): undefined reference to `descinit_' TRAN_DFT_NC.c:(.text+0x3803): undefined reference to `descinit_' TRAN_DFT_NC.c:(.text+0x383e): undefined reference to `descinit_' TRAN_DFT_NC.c:(.text+0x39cc): undefined reference to `numroc_' TRAN_DFT_NC.c:(.text+0x39f4): undefined reference to `numroc_' TRAN_DFT_NC.c:(.text+0x3a0d): undefined reference to `Csys2blacs_handle' TRAN_DFT_NC.c:(.text+0x3a36): undefined reference to `Cblacs_gridinit' TRAN_DFT_NC.c:(.text+0x3b2c): undefined reference to `descinit_' TRAN_DFT_NC.c:(.text+0x3b67): undefined reference to `descinit_' TRAN_DFT_NC.c:(.text+0x3ba2): undefined reference to `descinit_' TRAN_DFT_NC.c:(.text+0x3f2d): undefined reference to `Cfree_blacs_system_handle' TRAN_DFT_NC.c:(.text+0x3f3a): undefined reference to `Cblacs_gridexit' TRAN_DFT_NC.c:(.text+0x3f6e): undefined reference to `Cfree_blacs_system_handle' TRAN_DFT_NC.c:(.text+0x3f7b): undefined reference to `Cblacs_gridexit' Band_DFT_Col_Optical_ScaLAPACK.o: In function `Band_DFT_Col_Optical_ScaLAPACK': Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0xdec): undefined reference to `numroc_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0xe17): undefined reference to `numroc_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0xe35): undefined reference to `Csys2blacs_handle' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0xe5e): undefined reference to `Cblacs_gridinit' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0xf44): undefined reference to `descinit_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0xf73): undefined reference to `descinit_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0xfa2): undefined reference to `descinit_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x2ccc): undefined reference to `Cblacs_barrier' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x2d28): undefined reference to `pzgemm_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x2d7d): undefined reference to `Cblacs_barrier' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x2ddb): undefined reference to `pzgemm_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x48d0): undefined reference to `pzgemm_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x48e6): undefined reference to `Cblacs_barrier' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x4dac): undefined reference to `Cblacs_barrier' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x4e08): undefined reference to `pzgemm_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x4e5d): undefined reference to `Cblacs_barrier' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x4ebb): undefined reference to `pzgemm_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x537b): undefined reference to `pzgemm_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x5391): undefined reference to `Cblacs_barrier' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x7016): undefined reference to `numroc_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x7039): undefined reference to `numroc_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x7057): undefined reference to `Csys2blacs_handle' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x7080): undefined reference to `Cblacs_gridinit' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x715e): undefined reference to `descinit_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x718d): undefined reference to `descinit_' Band_DFT_Col_Optical_ScaLAPACK.c:(.text+0x71bc): undefined reference to `descinit_' Cluster_DFT_Optical_ScaLAPACK.o: In function `Cluster_collinear_Optical': /home/z/Desktop/openmx3.9/source/Cluster_DFT_Optical_ScaLAPACK.c:542: undefined reference to `Cblacs_barrier' /home/z/Desktop/openmx3.9/source/Cluster_DFT_Optical_ScaLAPACK.c:543: undefined reference to `pdgemm_' /home/z/Desktop/openmx3.9/source/Cluster_DFT_Optical_ScaLAPACK.c:551: undefined reference to `Cblacs_barrier' /home/z/Desktop/openmx3.9/source/Cluster_DFT_Optical_ScaLAPACK.c:552: undefined reference to `pdgemm_' /home/z/Desktop/openmx3.9/source/Cluster_DFT_Optical_ScaLAPACK.c:590: undefined reference to `pdgemm_' /home/z/Desktop/openmx3.9/source/Cluster_DFT_Optical_ScaLAPACK.c:591: undefined reference to `Cblacs_barrier' collect2: error: ld returned 1 exit status makefile:185: recipe for target 'openmx' failed make: *** [openmx] Error 1 Re: installation error-make file ( No.5 ) Date: 2020/06/03 17:24 Name: Naoya Yamaguchi Dear deniz, According to the error messages, you forgot to add a library of ScaLAPACK. The current version of OpenMX requires not only BLAS and LAPACK but also ScaLAPACK. And the solution I have given is to use "libscalapack-mpi-dev", and it uses OpenMPI as a MPI library. In this case, you can use the following settting: CC = mpicc -O3 -fopenmp -ffast-math FC = mpif90 -O3 -fopenmp -ffast-math LIB= -lscalapack-openmpi -llapack -lblas -lfftw3 -lmpi -lmpi_mpifh -lgfortran If you want to use MPICH that seemed to be installed manually without APT by yourself (/home/z/Desktop/mpich-install/lib), instead of OpenMPI, you should install ScaLAPACK and set the appropriate setting in makefile after you find where the required libraries are installed by yourself. "libscalapack-mpich-dev" may be available in the newer Ubuntu, but I think you can use OpenMPI on xenial. https://packages.ubuntu.com/en/bionic/libscalapack-mpich-dev Regards, Naoya Yamaguchi Re: installation error-make file ( No.6 ) Date: 2020/06/03 23:35 Name: deniz Dear NaoYa Yamaguchi I am confused. I change the make file: CC = mpicc -O3 -fopenmp -ffast-math FC = mpif90 -O3 -fopenmp -ffast-math LIB= -lscalapack-openmpi -llapack -lblas -lfftw3 -L/usr/lib -lmpi -lmpi_mpifh -lgfortran ******************************************** I have successfully installed all the packages except libscalapack-openmpi-dev and Output for the command of $ apt list --installed | grep mpi : WARNING: apt does not have a stable CLI interface. Use with caution in scripts. compiz/now 1:0.9.12.2+16.04.20160714-0ubuntu1 all [installed,upgradable to: 1:0.9.12.3+16.04.20180221-0ubuntu1] compiz-core/now 1:0.9.12.2+16.04.20160714-0ubuntu1 amd64 [installed,upgradable to: 1:0.9.12.3+16.04.20180221-0ubuntu1] compiz-gnome/now 1:0.9.12.2+16.04.20160714-0ubuntu1 amd64 [installed,upgradable to: 1:0.9.12.3+16.04.20180221-0ubuntu1] compiz-plugins-default/now 1:0.9.12.2+16.04.20160714-0ubuntu1 amd64 [installed,upgradable to: 1:0.9.12.3+16.04.20180221-0ubuntu1] libblacs-mpi-dev/xenial,now 1.1-33.3 amd64 [installed,automatic] libblacs-openmpi1/xenial,now 1.1-33.3 amd64 [installed,automatic] libcompizconfig0/now 1:0.9.12.2+16.04.20160714-0ubuntu1 amd64 [installed,upgradable to: 1:0.9.12.3+16.04.20180221-0ubuntu1] libexempi3/xenial-updates,xenial-security,now 2.2.2-2ubuntu0.1 amd64 [installed,automatic] libmpich-dev/xenial,now 3.2-6build1 amd64 [installed] libmpich12/xenial,now 3.2-6build1 amd64 [installed,automatic] libopenmpi-dev/xenial,now 1.10.2-8ubuntu1 amd64 [installed] libopenmpi1.10/xenial,now 1.10.2-8ubuntu1 amd64 [installed,automatic] libscalapack-mpi-dev/xenial,now 1.8.0-12.3 amd64 [installed] libscalapack-openmpi1/xenial,now 1.8.0-12.3 amd64 [installed,automatic] mpi-default-bin/xenial,now 1.4 amd64 [installed,automatic] mpi-default-dev/xenial,now 1.4 amd64 [installed] mpich/xenial,now 3.2-6build1 amd64 [installed] openmpi-bin/xenial,now 1.10.2-8ubuntu1 amd64 [installed] openmpi-common/xenial,xenial,now 1.10.2-8ubuntu1 all [installed,automatic] openmpi-doc/xenial,xenial,now 1.10.2-8ubuntu1 all [installed] ******************************************** and new error: /usr/bin/ld: Cluster_DFT_Col.o: undefined reference to symbol 'Cblacs_barrier' //usr/lib/libblacs-openmpi.so.1: error adding symbols: DSO missing from command line collect2: error: ld returned 1 exit status makefile:184: recipe for target 'openmx' failed make: *** [openmx] Error 1 Re: installation error-make file ( No.7 ) Date: 2020/06/04 03:28 Name: Naoya Yamaguchi Dear deniz, >//usr/lib/libblacs-openmpi.so.1: error adding symbols: DSO missing from command line In my experiences, such errors can appear when a wrong combination of libraries is used. In xenial, the dependency seems different from the newer Ubuntu. Could you try the following? CC = mpicc -O3 -fopenmp -ffast-math FC = mpif90 -O3 -fopenmp -ffast-math LIB= -lscalapack-openmpi -lblacs-openmpi -llapack -lblas -lfftw3 -lmpi -lmpi_mpifh -lgfortran Or, CC = mpicc -O3 -fopenmp -ffast-math FC = mpif90 -O3 -fopenmp -ffast-math LIB= -lblacs-openmpi -llapack -lblas -lfftw3 -lmpi -lmpi_mpifh -lgfortran Because "libblacs-mpi-dev" is a virtual package in the newer Ubuntu, but in xenial, it is a real package, I think that libblacs-openmpi.so might be required. And, if it is not a solution, because I have no machines with xenial and I can't try it directly, It may be difficult for me to provide a complete solution in your case. In this case, another easy solution is to upgrade your Ubuntu. Re: installation error-make file ( No.8 ) Date: 2020/06/04 22:32 Name: Deniz  <fahime.zargary@gmail.com> Dear NaoYa Yamaguch Thank you very much for your reply. Openmx3.9 is working now. I change the makefile to CC = mpicc -O3 -fopenmp -ffast-math FC = mpif90 -O3 -fopenmp -ffast-math LIB= -lscalapack-openmpi -lblacs-openmpi -llapack -lblas -lfftw3 -lmpi -lmpi_mpifh -lgfortran best regards, Deniz

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