You can download mVMC in the following place.

You can obtain the mVMC directory by typing

$ tar xzvf mVMC-xxx.tar.gz

There are two kind of procedures to install mVMC.

Using cmake

We can compile mVMC as

cd $HOME/build/mvmc
cmake -DCONFIG=gcc $PathTomvmc

Here, we set a path to mVMC as $PathTomvmc and to a build directory as $HOME/build/mvmc.
After compilation, src folder is constructed below a $HOME/build/mvmc folder and
we obtain an executable vmc.out in src/ directory.
In the above example, we compile mVMC by using a gcc compiler. We can select
a compiler by using the following options:

  • sekirei : ISSP system-B \sekirei”
  • fujitsu : Fujitsu compiler
  • intel : Intel compiler + Linux PC
  • gcc : GCC compiler + Linux PC.

An example of compiling mVMC by using the Intel compiler is shown as follows:

mkdir ./build
cd ./build
cmake -DCONFIG=intel ../

After compilation, src folder is created below the build folder and an execute
vmc.out in the \verbsrc| folder. We can select ScaLAPACK instead of LA-
PACK for vmc calculation by adding the following as the cmake option


Here, xxx is the libraries to use ScaLAPACK. Please note that we must delete the
build folder and repeat the above operations when we change the compiler.


Before using cmake for sekirei, you must type

source /home/issp/materiapps/tool/

When we type the following in sekirei,

cmake -DCONFIG=sekirei ../ -DUSE_SCALAPACK=ON
-DSCALAPACK_LIBRARIES="\${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64
-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core

When the path to libraries for ScaLAPACK is different in your circumstance,
please set -DSCALAPACK_LIBRARIES as the correct path.


Please run script in the mVMC directory as follow (for ISSP
system-B “sekirei”):

$ bash sekirei

Then environmental configuration file make.sys is generated in src/ directory. The command-line argument of is as follows:

  • sekirei : ISSP system-B “sekirei”
  • kei : K computer and ISSP system-C “maki”
  • intel-openmpi : Intel compiler + OpenMPI
  • intel-mpich : Intel compiler + MPICH2
  • intel-intelmpi : Intel compiler + IntelMPI
  • gcc-openmpi : GCC + OpenMPI
  • gcc-mpich-mkl : GCC + MPICH + MKL

make.sys is as follows (for ISSP-system-B “sekirei”):

CC = mpicc
F90 = mpif90
CFLAGS = -O3 -no-prec-div -xHost -qopenmp -Wno-unknown-pragmas
FFLAGS = -O3 -implicitnone -xHost
LIBS = -L $(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 ¥
-lmkl_intel_thread -lmkl_core -lmkl_blacs_sgimpt_lp64 -lpthread -lm
SFMTFLAGS = -no-ansi-alias -DHAVE_SSE2

We explain macros of this fille as:

  • CC : C compiler (mpicc, mpifccpx)
  • F90 : fortran compiler (ifort, frtpx)
  • Libs : Linker option
  • CFLAGS : C compile option
  • FFLAGS : fortran compile option

Then you are ready to compile mVMC. Please type

$ make mvmc

and obtain vmc.out and vmcdry.out in src/ directory; you should add this directory to the $PATH.


You can make a PATH to mVMC as follows:

$ export PATH=${PATH}:mVMC top directory/src/

If you keep this PATH, you should write above in ~/.bashrc (for bash as a
login shell)