Hi Mengjuei
This was fixed on the 13th April 2005. Have you updated your CVS tree
recently? It should fix it. If you have any other problems with sander
compilation and G95 please email me.
All the best
Ross
/\
\/
|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk/ | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.
> -----Original Message-----
> From: owner-amber-developers.scripps.edu
> [mailto:owner-amber-developers.scripps.edu] On Behalf Of
> Mengjuei Hsieh
> Sent: 19 April 2005 18:10
> To: amber-developers.scripps.edu
> Subject: amber-developers: The modification of amber9
> sander/qm_mop/qm2_scf.f for g95
>
> Hi,
>
> Recently we've tried to use g95 on windows and linux and it
> seems that g95
> doesn't like long lines in the code like this:
>
> g95 -c -O3 -ffree-form -o qm2_scf.o _qm2_scf.fWarning
> (115): Line 376 of
> _qm2_scf.f is being truncatedIn file _qm2_scf.f:376e(1,1)
> 1Error: Invalid
> form of array reference at (1)In file _qm2_scf.f:377
> qm2_struct%mat_diag_workspace(1,2),qm2_struct%mat_diag_workspace
> 1Error: Unclassifiable statement at (1)make[1]: ***
> [qm2_scf.o] Error 1
>
> Here is the modification of the qm2_scf.f file that I used to
> avoid that
> problem.
>
> Change the line 149 from:
> call
> qm2_mat_diag(fock_matrix,qm2_struct%norbs,qm2_struct%norbs,qm2
> _struct%eigen_
> vectors,qm2_struct%mat_diag_workspace(1,1), &
>
> to
>
> call qm2_mat_diag(fock_matrix,qm2_struct%norbs,&
> qm2_struct%norbs,qm2_struct%eigen_vectors,qm2_struct%mat_diag_
> workspace(1,1)
> , &
>
> Best,
> --
> Hsieh, Luo group, Molecular Biology and
> Biochemistry, University of
> California Irvine. Tel: 49562, Address: 3144 Natural Science
> I building,
> UCI, Irvine CA 92697-3900. Group Homepage: http://rayl0.bio.uci.edu/
>
>
Received on Wed Apr 05 2006 - 23:49:57 PDT
