Hi,
Dr. Pilger asked about an error "cannot map xxxxxxx" when attempting to
run AMBER6's sander_classic on a Compaq workstation. That error is a
symptom of a licensing problem with the Compaq Extended Math Library
(CXML, or DXML as it was known in the version that Dr. Pilger is using).
Specifically, the program was built on a system where the DXML
installation is only meant for run-time use, and not for program
development.
There are a number of ways to fix this. Among the simplest is to
install the development version of DXML and its license, or to
remove "-ldxml" from the LOADLIB definition in the MACHINE file.
(sander_classic does not actually require anything from DXML). In
either of these cases, it will be necessary to re-link sander_classic
by going to the src/sander_classic directory and doing "make install".
A better solution would be to update the workstation's software. In
later versions, CXML is included with Compaq Fortran, and there is no
distinction between development and run-time licensing. In this case,
it would be a good idea to do a complete re-build, to take advantage
of compiler improvements.
Regards,
--
Chuck Schneider
Compaq High Performance Computing Expertise Center
Marlboro, Massachusetts 508-467-7343
chuck.schneider_at_compaq.com
Received on Mon Mar 05 2001 - 05:20:18 PST
