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Binaries are given as self-extracting tar archives which are installed
by running them on the command line. There are binaries tuned for
several architectures. These also support parallel execution.
The parallel binaries are built using GA with TCGMSG, and the default connection across nodes is rsh.
One can use ssh instead of rsh by changing environment variable TCGRSH (e.g., export TCGRSH=/usr/bin/ssh for bash).
There is a
generic serial binary which should run on all IA32 architectures.
The tar archives are fully relocatable, the location can be changed when
running the script interactively, the default is /usr/local.
If the script finds a licence key which has been cached in $HOME/.molpro/token from a previous install then that key will be
installed with the software. If the script cannot find a key or
automatically download it from the molpro website then the script will
prompt that this part of the install has failed. All files of Molpro are
installed, but the user must then manually install the key with the
library files in a file named .token, e.g.:
/usr/local/lib/molpro-mpptype-arch/.token
Other configuration options as described in section A.3.5
may also be specified in the script file:
/usr/local/bin/molpro
Next: A..3 Installation from source
Up: A. Installation Guide
Previous: A..1 Obtaining the distribution
Contents
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manual
quickstart
instguide
update
basis
molpro@molpro.net 2012-02-09