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%eige
n_
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,
--
Mengjuei 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 - 23:49:58 PDT
