From chemistry-request@ccl.net Mon Dec 9 15:40:21 1991 Date: Mon, 9 Dec 91 14:09:46 EST From: Kevin Moore To: chemistry@ccl.net Subject: CHELPG... Status: R Hello- Because of some local needs, we have optimized/vectorized the CHELPG program for the Cray Y-MP. I have done some tests of it which have duplicated previous calculations, but would like a couple of regular users of CHELPG to test it. This could be done by sending me the input, output and basis info or grabbing the code and running it on a Cray which you can access. The code is running over 25 times faster than the code I originally received. If you are interested, please contact me at kmoore@ncsc.org. Thanks. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ || Kevin Moore North Carolina Supercomputing Center || || Scientific Support Analyst 3021 Cornwallis Rd. || || (919) 248-1179 Research Triangle Park, NC 27709 || ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++