following (replace "intel64" with "ia32" if you are using a 32-bit platform). For csh/tcsh: $ source /opt/intel/bin/compilervars.csh intel64 For bash: $ source /opt/intel/bin/compilervars.sh intel64 To invoke the installed compilers: For C++: icpc For C: icc For Fortran: ifort T...
configure: error: in `/home/smec17045/setup/openmpi-4.1.2/build_intel':configure: error: C compiler cannot create executablesSee `config.log' for more details configured with the following worked. ../configure -prefix=/opt/intel_openmpi CC=/opt/intel/oneapi/compiler/2022.0.2/linux/bi...
I have the latest OpenMPI on linux which I compiled with the Intel compiler suite. I am trying to compile an OpenMPI application. My particular application uses RInside and RcppEigen. If I comment out the openMPI parts of my code, the compile string is: icpc -I/usr/share/R/include -I...
如题，小弟装vasp过不了编译器那一关，最新版已经没有非商业版了，老版的和自己的机子不兼容，求知...
Now if one uses intel-mpi this poses no problems, but as soon as you want to use your own MPI (openmpi, mvapich, mpich, etc) with intel compiler you have a cluttered env var. :( 3) In my opinion the mpi-compiler is a separate compiler (yes this is not entirely true, but you ...
source /opt/intel/bin/compilervars.sh intel64 source /opt/intel/compilers_and_libraries_2019.4.243/linux/mpi/intel64/bin/mpivars.sh export CC=icc export CXX=icpc export FC=ifort export MPICC=mpiicc export MPICXX=mpiicpc export MPIFC=mpiifort ...
cmake -DCMAKE_C_COMPILER=/opt/rh/devtoolset-7/root/usr/bin/cc -DCMAKE_CXX_COMPILER=/opt/...
- openmpi) - mkl_blacs_lib="libmkl_blacs_openmpi_lp64.a" - ;; - *) - enable_mkl_scalapack="__FALSE__" - ;; - esac - mkl_optional_libs="$mkl_optional_libs $mkl_blacs_lib" - for ii in $mkl_optional_libs ; do - if ! [ -f "${mkl_lib_dir}/${ii}" ] ; then ...
注意需要加入-DMPI_Fortran_COMPILER=mpiifort -DMPI_C_COMPILER=mpicc -DMPI_CXX_COMPILER=mpiicpc 这三这参数,因为intel编译器自带gfortan。不指定的话会使用gfortan而不是mpiifort。 结束了? 全程选择intel库更加方便,编译成功后就结束了?没那么简单。openmolcas使用pymolcas作为运行程序,但编译的时候,pymolcas会将...
具体可参考https://community.intel.com/t5/Intel-C-Compiler/FFTW-compilation-issue-autoconf-for-standard-headers-fails/td-p/1146077 第三个问题是困扰我最久地,PLUMED。PLUMED是MD增强库,可以提供伞形采样等增强分子动力学模拟功能。所以,解决这个问题最简单的办法就是不安装,直接设置--with-plumed=no。若确实...