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OpenMx 3.9 installation issue Date: 2021/12/20 21:36 Name: Gilad Gani   <giladg@campus.technion.ac.il> Hello, I am trying to install OpenMX 3.9 on ubuntu 18.04 on WSL. I am using intel MKL via intel oneAPI Base Toolki, and GCC as a compiler. the makefile parameters are as follows: \MKLROOT = /opt/intel/oneapi/mkl/2021.4.0/ CC = mpiicc -O3 -xHOST -ip -no-prec-div -qopenmp -I${MKLROOT}/include -I${MKLROOT}/include/fftw FC = mpiifort -O3 -xHOST -ip -no-prec-div -qopenmp LIB= -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lifcore -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl when trying to execute make all, I have the following error: /opt/intel/oneapi/mpi/2021.4.0//bin/mpiicc: 1: eval: icc: not found makefile:187: recipe for target 'openmx' failed make: *** [openmx] Error 127 what could be the issue? Thank you in advance, Gilad

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Re: OpenMx 3.9 installation issue ( No.1 ) Date: 2021/12/21 01:20 Name: Naoya Yamaguchi Hi, >I am using intel MKL via intel oneAPI Base Toolki, and GCC as a compiler. `mpiicc` and `mpiifort` are commands for the Intel compilers. You need to replace them with the GCC ones if you use the GCC. And `-xHOST -ip -no-prec-div -qopenmp` are special flags for the Intel ones, and you also need to modify them for the GCC. Regards, Naoya Yamaguchi Re: OpenMx 3.9 installation issue ( No.2 ) Date: 2021/12/22 18:06 Name: Gilad Gani  <giladg@campus.technion.ac.il> Hi, Thank you for the quick reply. I tried to install OpenMX with intel compilers, according to the instructions here: http://www.openmx-square.org/Installation_OpenMX_WSL_EN.pdf I used the following makefile parameters: MKLROOT = /opt/intel/oneapi/mkl/2022.0.1/ CC = mpiicc -O3 -xHOST -ip -no-prec-div -qopenmp -I${MKLROOT}/include -I${MKLROOT}/include/fftw FC = mpiifort -O3 -xHOST -ip -no-prec-div -qopenmp LIB= -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lifcore -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ld and I get the following error when trying to execute make all: ld: cannot find -ld makefile:209: recipe for target 'openmx' failed make: *** [openmx] Error 1 what can be done? Thank you very much, Gilad Re: OpenMx 3.9 installation issue ( No.3 ) Date: 2021/12/22 22:50 Name: Naoya Yamaguchi Dear Gilad, `-ld` should be `-ldl`. Please correct it as follows. LIB= -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lifcore -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl Regards, Naoya Yamaguchi Re: OpenMx 3.9 installation issue ( No.4 ) Date: 2021/12/23 00:12 Name: Gilad Gani  <giladg@campus.technion.ac.il> Hi, I changed the LIB to the suggested one, and now I get the following error: makefile:209: recipe for target 'openmx' failed make: *** [openmx] Error 1 during the execution of make all. Thank you, Gilad Re: OpenMx 3.9 installation issue ( No.5 ) Date: 2021/12/23 00:14 Name: Naoya Yamaguchi Dear Gilad, Can you show the error messages before the line of `makefile:209: recipe for target 'openmx' failed`? Regards, Naoya Yamaguchi Re: OpenMx 3.9 installation issue ( No.6 ) Date: 2021/12/23 00:51 Name: Gilad Gani  <giladg@campus.technion.ac.il> Hi, attached here the last few lines of the output of the make all: elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0x7f6): undefined reference to `_gfortran_st_write' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0x81d): undefined reference to `_gfortran_concat_string' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0x82d): undefined reference to `_gfortran_transfer_character_write' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0x835): undefined reference to `_gfortran_st_write_done' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0x83f): undefined reference to `_gfortran_stop_numeric' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0xaa7): undefined reference to `_gfortran_st_write' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0xace): undefined reference to `_gfortran_concat_string' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0xbae): undefined reference to `_gfortran_st_write' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0xbd5): undefined reference to `_gfortran_concat_string' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0xe92): undefined reference to `_gfortran_st_write' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0xeb9): undefined reference to `_gfortran_concat_string' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0xec9): undefined reference to `_gfortran_transfer_character_write' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0xed1): undefined reference to `_gfortran_st_write_done' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0xedb): undefined reference to `_gfortran_stop_numeric' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0xfb1): undefined reference to `_gfortran_st_write' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0xfd8): undefined reference to `_gfortran_concat_string' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0x1002): undefined reference to `_gfortran_runtime_error' elpa_solve_evp_complex_2stage_double_impl.F90:(.text+0x100e): undefined reference to `_gfortran_os_error' makefile:209: recipe for target 'openmx' failed make: *** [openmx] Error 1 Thank you, Gilad Re: OpenMx 3.9 installation issue ( No.7 ) Date: 2021/12/23 01:28 Name: Naoya Yamaguchi Dear Gilad, Can you try executing `make clean && make all`? If the same error such as ```undefined reference to `_gfortran..``` remains, please tell it. Regards, Naoya Yamaguchi Re: OpenMx 3.9 installation issue ( No.8 ) Date: 2021/12/23 18:45 Name: Gilad Gani  <giladg@campus.technion.ac.il> Dear Naoya, It worked! Thank you very much for all of the help! Best regards, Gilad Gani

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