Thread Like Summary
KVandy
Total Likes: 1
Original Post (Thread Starter)
#10307 04/19/2006 5:25 PM
by JohnPenniston
JohnPenniston
I am trying to run the test file ~/c32b1/c32test/mcmatest.inp . When I try this, it runs but it tests whether ?MCMA .ne. 1. It determines that ?MCMA is not equal to 1 and doesn't run the test. I tried commenting out the test of ?MCMA. When I did that, I got further, but then Charmm did not recognize the MCMA INIT command.

I have run some of the other tests without any problems. Can anyone advise me on how to get MCMA to work?
Liked Replies
#38472 Jul 5th a 07:56 PM
by rmv
rmv
The installation procedure has changed since the posts above were written, and the correct method is shown as the output from './configure --help'.

In brief, the MCMA keyword must be added via the configure step, using the -a (or --add) option prior to compiling, with the syntax:
Code
-a <keyword1,keyword2,...,keywordN>, --add <keyword1,keyword2,...,keywordN> 
         add the keywords to the final pref.dat
1 member likes this
Powered by UBB.threads™ PHP Forum Software 7.7.5
(Release build 20201027)
Responsive Width:

PHP: 7.3.31-1~deb10u1 Page Time: 0.023s Queries: 11 (0.022s) Memory: 0.6853 MB (Peak: 0.7095 MB) Data Comp: Off Server Time: 2022-09-25 13:24:20 UTC
Valid HTML 5 and Valid CSS