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Control and Prediction of the Organic Solid State


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System requirements (Owners list of approved equipment)

DMAREL and DMACRYS have been tested on the following hardware and software and this represents our approved list.

Intel xeon x86_64 processor running Linux operating system version 2.6.11 using ifort FORTRAN compiler version 8.1.

Other hardware/software combinations have been used successfully and there is no reason why the codes should not run on other systems.

Compiler issues

The makefile distributed with the bundle is set only to work with the ifrot compiler.  To make it work with gfortran, change the top of the makefile (for both NEIGHCRYS and DMACRYS) to:

VERSION_STRING=`grep Version= maurice.f90 | cut -f2 -d= | tr -d \"`
# Select compiler here! Either ifort, gfortran or pgf90
fflags0="-g -check -Wall -fbounds-check"
fflags3="-O3 -static"

ifeq ($(FC),ifort)
 fflags0="-g -check -traceback"

ifeq ($(FC),gfortran)
 fflags0="-g -fbacktrace -fcheck=all"

The old g95 compiler is no longer supported, so we don't recommend its use.

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