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#20359 - 03/06/09 02:06 PM Compiling c35b2 with REPDSTR
tim Offline

Forum Member

Registered: 10/24/04
Posts: 371
Loc: Rockville, MD

From my experience, two modifications need to be made to compile c35b2 with the REPDSTR keyword.

First, a module dependency is not set up correctly. It is necessary to edit build/UNX/, scroll down to the lines beginning with:

$(LIB)/dynamc.a(dcntrl.o) :

It is necessary to add one more of these lines, with:

$(LIB)/dynamc.a(dcntrl.o) : $(LIB)/gener.a(repdstr.o)

Secondly, source/charmm/miscom.src must be edited, immediately after the lines:

use cross, only: CROSSINIT,QCROS

it is necessary to add:

use repdstrmod

For convenience, I have attached a diff of these changes. Once these were made, I was able to compile c35b2 with REPDSTR.

20686-repdstr-compile-diff.txt (505 downloads)

#27736 - 06/24/11 01:03 PM Re: Compiling c35b2 with REPDSTR [Re: tim]
Dennis McRitchie Offline
Forum Member

Registered: 06/23/11
Posts: 1
As of c35b6, these two required fixes have not been applied to the code base.

Also, it is necessary to add the REPDSTR compile keyword to the command line for the repdstr module to be built:

./ ... +REPDSTR

#27737 - 06/24/11 01:25 PM Re: Compiling c35b2 with REPDSTR [Re: Dennis McRitchie]
rmv Online   content

Forum Member

Registered: 09/17/03
Posts: 8334
Loc: 39 03 48 N, 77 06 54 W
Unfortunately, most of the REPDSTR changes and effort have been focused on the c36alpha versions.
Rick Venable
computational chemist

#29962 - 05/01/12 02:12 PM Re: Compiling c35b2 with REPDSTR [Re: tim]
Peng Lian Offline
Forum Member

Registered: 03/19/11
Posts: 2
Thank you Tim,

It works fine with my c35b5, after I added the keyword "REPDSTR" to the file "build/em64t/pref.dat" before compiling.


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