- INSTALL GFORTRAN 5 IN LINUX HOW TO
- INSTALL GFORTRAN 5 IN LINUX SOFTWARE
- INSTALL GFORTRAN 5 IN LINUX CODE
Using the Intel composer suite (Fortan compiler + MKL libraries), typically:įCL=$(FC) -mkl OFLAG The general level of optimization (default: OFLAG=-O2). For instance:įREE=-ffree-form -ffree-line-length-none FC The command to invoke your Fortran compiler (e.g. N.B.: This variable has to include $(CPP_OPTIONS)! If not, CPP_OPTIONS will be ignored.įREE Specify the options that your Fortran compiler needs for it to accept free-form source layout, without line-length limitation. N.B.II: CPP_OPTIONS is only used in this file, where it should be added to CPP (see next item).ĬPP The command to invoke the precompiler you want to use, for instance:ĬPP=fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS)ĬPP=/usr/bin/cpp -P -C -traditional $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS). INSTALL GFORTRAN 5 IN LINUX CODE
Building the standard, gamma-only, or non-collinear version of the code is specified through an additional argument to the make command (see the make section).
N.B.I: -DNGZhalf, -DwNGZhalf, -DNGXhalf, -DwNGXhalf are deprecated options. ] Take a lead from the files in /arch, and have a look at the description of the commonly used VASP prcompiler flags. N.B.: Unfortunately at this time we do not offer a GPU port of the gamma-only version yet.Īdapting makefile.include Precompiler variablesĬPP_OPTIONS Specify the precompiler flags: CPP_OPTIONS=. To built the GPU ports of the standard and non-collinear versions, respectively. makefile.includeĪnd adapt it to the particulars of your system (see below), followed by: This will build the standard, gamma-only, and non-collinear version of VASP one after the other.Īlternatively on may build these versions individually:Ĭp arch/_intel_cuda. 
When you've finished setting up makefile.include, build VASP:
In many cases these makefile.include files will have to be adapted to the particulars of your system (see below). Take one that most closely reflects your system (hopefully).įor instance, on a linux box with the Intel Composer suite:Ĭp arch/_intel.
INSTALL GFORTRAN 5 IN LINUX HOW TO
How to make VASPĬopy one of the files in root/arch to root/makefile.include. root/bin Here make will store the binaries. root/build The different versions of VASP, i.e., the standard, gamma-only, non-collinear version will be build in separate subdirectories of this directory. root/src/CUDA Holds the source of the cuda-code that will be executed on the GPU by the CUDA-C GPU port of VASP. root/src/parser Holds the source of the LOCPROJ parser (as of versions >= 5.4.4), and a low-level makefile.
root/src/lib Holds the source of the VASP library (used to be vasp.X.lib), and a low-level makefile. root/src Holds the source files of VASP, and a low-level makefile. Root/ Holds the high-level makefile, and several subdirectories. The build system of VASP (as of versions >= 5.4.1) has the following
Numerical libraries like BLAS, LAPACK, ScaLAPACK, and FFTW. An implementation of MPI (Message Passing Interface). INSTALL GFORTRAN 5 IN LINUX SOFTWARE
6.3 For vasp.5.4.4.18Apr17-6-g9f103f2a35įor the compilation of the parallel version of VASP the following software is mandatory:. 4.9 For the interface to Wannier90 (optional). 4.6.1 Special rules for the optimization level of FFT related objects.
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