I am trying to compile the latest stable release of LAMMPS (23 June 2022) using the classic C/C++ compilers from Intel's oneAPI toolkit. The process exits early on due to an error triggered by an " undefined reference to `sgemm_' ".
However, as you can see in the terminal output posted below, while sgemm is not found initially, it is found afterwards. Am I missing some dependencies?
Also attached are the CMake output and error logs.
-- The CXX compiler identification is Intel 2021.6.0.20220226
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /home/user/intel/oneapi/compiler/2022.1.0/linux/bin/intel64/icpc - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Found Git: /usr/bin/git (found version "2.36.1")
-- Appending /home/user/intel/oneapi/tbb/2021.6.0/env/../lib/intel64/gcc4.8:/home/vishnu/intel/oneapi/mpi/2021.6.0//libfabric/lib:/home/vishnu/intel/oneapi/mpi/2021.6.0//lib/release:/home/vishnu/intel/oneapi/mpi/2021.6.0//lib:/home/vishnu/intel/oneapi/mkl/2022.1.0/lib/intel64:/home/vishnu/intel/oneapi/compiler/2022.1.0/linux/compiler/lib/intel64_lin:/home/vishnu/intel/oneapi/compiler/2022.1.0/linux/lib to CMAKE_LIBRARY_PATH: /home/vishnu/intel/oneapi/tbb/2021.6.0/env/../lib/intel64/gcc4.8:/home/vishnu/intel/oneapi/mpi/2021.6.0//libfabric/lib:/home/vishnu/intel/oneapi/mpi/2021.6.0//lib/release:/home/vishnu/intel/oneapi/mpi/2021.6.0//lib:/home/vishnu/intel/oneapi/mkl/2022.1.0/lib/intel64:/home/vishnu/intel/oneapi/compiler/2022.1.0/linux/compiler/lib/intel64_lin:/home/vishnu/intel/oneapi/compiler/2022.1.0/linux/lib
CMake Error at Modules/LAMMPSUtils.cmake:51 (string):
string sub-command STRIP requires two arguments.
Call Stack (most recent call first):
CMakeLists.txt:68 (get_lammps_version)
-- Running check for auto-generated files from make-based build system
-- Found MPI_CXX: /home/user/intel/oneapi/mpi/2021.6.0/lib/libmpicxx.so (found version "3.1")
-- Found MPI: TRUE (found version "3.1")
-- Looking for C++ include omp.h
-- Looking for C++ include omp.h - found
-- Found OpenMP_CXX: -qopenmp (found version "5.0")
-- Found OpenMP: TRUE (found version "5.0")
-- The C compiler identification is Intel 2021.6.0.20220226
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /home/user/intel/oneapi/compiler/2022.1.0/linux/bin/intel64/icc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- Looking for sgemm_
-- Looking for sgemm_ - not found
-- Looking for pthread.h
-- Looking for pthread.h - found
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success
-- Found Threads: TRUE
-- Looking for sgemm_
-- Looking for sgemm_ - found
-- Found BLAS: /home/user/intel/oneapi/mkl/2022.1.0/lib/intel64/libmkl_intel_lp64.so;/home/vishnu/intel/oneapi/mkl/2022.1.0/lib/intel64/libmkl_intel_thread.so;/home/vishnu/intel/oneapi/mkl/2022.1.0/lib/intel64/libmkl_core.so;/home/vishnu/intel/oneapi/compiler/2022.1.0/linux/compiler/lib/intel64_lin/libiomp5.so;-lm;-ldl
-- Looking for cheev_
-- Looking for cheev_ - found
-- Found LAPACK: /home/user/intel/oneapi/mkl/2022.1.0/lib/intel64/libmkl_intel_lp64.so;/home/vishnu/intel/oneapi/mkl/2022.1.0/lib/intel64/libmkl_intel_thread.so;/home/vishnu/intel/oneapi/mkl/2022.1.0/lib/intel64/libmkl_core.so;/home/vishnu/intel/oneapi/compiler/2022.1.0/linux/compiler/lib/intel64_lin/libiomp5.so;-lm;-ldl;-lm;-ldl
-- Found JPEG: /usr/lib/libjpeg.so (found version "80")
-- Found PNG: /usr/lib/libpng.so (found version "1.6.37")
-- Found ZLIB: /usr/lib/libz.so (found version "1.2.12")
-- Found GZIP: /usr/bin/gzip
-- Found FFMPEG: /usr/bin/ffmpeg
-- Looking for C++ include cmath
-- Looking for C++ include cmath - found
-- Looking for C++ include immintrin.h
-- Looking for C++ include immintrin.h - found
-- Found TBB_MALLOC: /home/user/intel/oneapi/tbb/2021.6.0/lib/intel64/gcc4.8/libtbbmalloc.so
-- Performing Test COMPILER_SUPPORTS-O2
-- Performing Test COMPILER_SUPPORTS-O2 - Success
-- Performing Test COMPILER_SUPPORTS-fp-modelfast2
-- Performing Test COMPILER_SUPPORTS-fp-modelfast2 - Success
-- Performing Test COMPILER_SUPPORTS-no-prec-div
-- Performing Test COMPILER_SUPPORTS-no-prec-div - Success
-- Performing Test COMPILER_SUPPORTS-qoverride-limits
-- Performing Test COMPILER_SUPPORTS-qoverride-limits - Success
-- Performing Test COMPILER_SUPPORTS-qopt-zmm-usagehigh
-- Performing Test COMPILER_SUPPORTS-qopt-zmm-usagehigh - Success
-- Performing Test COMPILER_SUPPORTS-qno-offload
-- Performing Test COMPILER_SUPPORTS-qno-offload - Success
-- Performing Test COMPILER_SUPPORTS-fno-alias
-- Performing Test COMPILER_SUPPORTS-fno-alias - Success
-- Performing Test COMPILER_SUPPORTS-ansi-alias
-- Performing Test COMPILER_SUPPORTS-ansi-alias - Success
-- Performing Test COMPILER_SUPPORTS-restrict
-- Performing Test COMPILER_SUPPORTS-restrict - Success
-- Generating style headers...
-- Generating package headers...
-- Generating lmpinstalledpkgs.h...
-- Found ClangFormat: /usr/bin/clang-format (found suitable version "13.0.1", minimum required is "8.0")
-- The following tools and libraries have been found and configured:
* Git
* MPI
* OpenMP
* LAPACK
* BLAS
* JPEG
* PNG
* ZLIB
* TBB_MALLOC
* ClangFormat (required version >= 8.0)
-- <<< Build configuration >>>
LAMMPS Version:
Operating System: Linux Arch Linux
Build type:
Install path: /usr
Generator: Unix Makefiles using /usr/bin/make
-- Enabled packages: ATC;INTEL;MANYBODY
-- <<< Compilers and Flags: >>>
-- C++ Compiler: /home/user/intel/oneapi/compiler/2022.1.0/linux/bin/intel64/icpc
Type: Intel
Version: 2021.6.0.20220226
C++ Flags: -no-prec-div -qoverride-limits -qopt-zmm-usage=high -qno-offload -fno-alias -ansi-alias -O3 -std=c++11 -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG -restrict
Defines: LAMMPS_SMALLBIG;LAMMPS_MEMALIGN=64;LAMMPS_OMP_COMPAT=4;LAMMPS_JPEG;LAMMPS_PNG;LAMMPS_GZIP;LAMMPS_FFMPEG;LMP_INTEL;LMP_INTEL_USELRT;LMP_USE_MKL_RNG
Options: -xHost;-O2;-fp-model;fast=2;-no-prec-div;-qoverride-limits;-qopt-zmm-usage=high;-qno-offload;-fno-alias;-ansi-alias;-restrict
-- C compiler: /home/user/intel/oneapi/compiler/2022.1.0/linux/bin/intel64/icc
Type: Intel
Version: 2021.6.0.20220226
C Flags: -xHost -O3 -no-prec-div -qoverride-limits -qopt-zmm-usage=high
-- <<< Linker flags: >>>
-- Executable name: lmp
-- Executable linker flags: -Wl,-O1,--sort-common,--as-needed,-z,relro,-z,now
-- Static library flags:
-- <<< MPI flags >>>
-- MPI_defines: MPICH_SKIP_MPICXX;OMPI_SKIP_MPICXX;_MPICC_H
-- MPI includes: /home/user/intel/oneapi/mpi/2021.6.0/include
-- MPI libraries: /home/user/intel/oneapi/mpi/2021.6.0/lib/libmpicxx.so;/home/vishnu/intel/oneapi/mpi/2021.6.0/lib/libmpifort.so;/home/vishnu/intel/oneapi/mpi/2021.6.0/lib/release/libmpi.so;/usr/lib64/libdl.a;/usr/lib64/librt.a;/usr/lib64/libpthread.a;
-- Configuring incomplete, errors occurred!
See also "/home/user/Applications/PKG_LMP/src/lammps/build/CMakeFiles/CMakeOutput.log".
See also "/home/user/Applications/PKG_LMP/src/lammps/build/CMakeFiles/CMakeError.log".
==> ERROR: A failure occurred in build().
Aborting...
Also attached are the CMake output and error logs.
