Makefile options

The Makefile (to be used with GNU make, i.e. gmake on some systems) in ePolyScat contians the following commands:

make all

makes executables and the web manual, needs the environment variables MACH, COMPILER, and TMPDIR to run correctly.

make testn

runs test n that is in the tests directory and puts the output in the tests/outdir.$MACH directory in file testn.out

make o=stdout testn

runs test n that is in the tests directory and puts the output on the standard output

make t=batch testn

runs test n that is in the tests directory using a batch queue facility putting the output into the tests/outdir.$MACH directory.

make o=file testn

runs test n that is in the tests directory and puts the output in file

make testall

runs all of the tests in the tests directory and puts the output in the tests/outdir.$MACH directory

make t=batch testall

runs all of the tests in the tests directory using the batch facility and puts the output in the tests/outdir.$MACH directory

make manual

creates the web manual and puts it in the manual directory

make mpiwrapper

makes a wrapper to set up the inp.dat file and run the correct parallel environment, the wrapper is a script with the name ePolyScat in the directory $pe/bin

make clean

removes all files created by make

The Makefile uses machine files found in the include subdirectory. In particular, one must create appropriate versions of the following files:

$MACH$COMPILER.mk

Makefile definitions for compiling and linking the code

$MACH.batch.com

batch script to run the test jobs

$MACH$COMPILER.mpiwrapper.gen

script to creat wrapper script to make the codes easier to run.

where $MACH is the environment variable the specifies the type of machine and $COMPILER specifies which complier to use.

The libraries that are needed are OpenMPI, LAPACK, and BLAS (e.g. Goto BLAS)

Note that after running a testall command, one can check all of the tests results against the standard outputs using a bash script that is defined in the extras directory

1. . extras/CompDiff.sh # this defines a few shell functions
2. CompDiffStndAll tests/outdir.$MACH tests # compares the .out files in the first directory given with the .ostnd files in the second directory indicated

Note that this does a comparision of certain lines of the output for numerical results. This means e.g. different dates will not be flagged as being different, which would occur if a straight diff were performmed.