Installation of ComRISB in Quantum Mobile¶
Quantum Mobile [v21.06.04](https://quantum-mobile.readthedocs.io/en/latest/releases/index.html) has preinstalled everything needed. We just use the machine specific setting file arch.mk:
# Quantum Mobile v21.06.04
# https://quantum-mobile.readthedocs.io/en/latest/releases/index.html
compfl = -O2 -w -fbacktrace -ffree-line-length-0
PF90 = h5pfc
F90 = h5pfc
FPPFLAGS += -DUSE_HDF5
LAPACK_LIB = -lopenblas
FIX_FORM = -ffixed-form
FREE_FORM = -ffree-form
# C/C++ compiler
CC = gcc
C++ = g++
# C compiler options.
CFLAGS = -O2
From the folder comrisb, type:
$ make COMRISB_BIN=${PWD}/bin
$ source ~/.bashrc
Next we make python3.7 as the default. Type:
sudo update-alternatives --install /usr/bin/python python3 /usr/bin/python3.7 2
And also install hdf5-tools by typing:
sudo apt-get install -y hdf5-tools
The installation is completed.
Installation of ComRISB using Intel environement¶
Prerequisites¶
ComRISB consists of programs, executables, and scripts, written in Fortran90, c (c++) and Python3. Before you start the installation, please make sure that the following packages are installed in your system.
Linux
GNU make >= 3.82
Intel Fortran, C and C++ compiler >= 19.0.0.117 20180804
Intel MKL
Intel MPI
parallel hdf5 >= 1.10.3 (configured with CC=mpiicc FC=mpiifort CXX=mpiicpc –enable-fortran –enable-fortran2003 –enable-parallel –enable-shared)
Anaconda with python >=3.7
Install¶
From the folder comrisb, type:
$ make COMRISB_BIN=${PWD}/bin
$ source ~/.bashrc
Hopefully it will finish the compiling and installation without incidents. Important settings are located in arch.mk file:
compfl = -O2 -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
PF90 = h5pfc # located in bin directory of the parallel hdf5 package.
F90 = h5pfc
FPPFLAGS += -DUSE_HDF5
LAPACK_LIB = -mkl
FIX_FORM = -fixed
FREE_FORM = -free
# C/C++ compiler
CC = icc
C++ = icpc
# C compiler options.
CFLAGS = -O2
Please report problems to cygutz@gmail.com.