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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

Some older versions of the g95 compiler have errors in compiling statements such as

LOGICAL CORSH2, CORSH1
INTEGER ISUP2,KSUP2
CORSH2 = CORSH1.AND.ISUP2.EQ.KSUP2

The logical variable is set incorrectly and this causes the program to execute a section of code that it should not be able to reach later on, resulting in an attempt to address an element out of the bounds of an array. This will only cause the program to stop if array bounds checking is switched on at compilation. It appears that if array bounds checking is off the program does produce the correct result, but this cannot be guaranteed. This is not a problem for ifort or newer versions of g95 (version 9.0 and 9.1 work).

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