[Pw_forum] Problems with CP when multiplicity>1

[Paolo Giannozzi]

Giovanni La Penna wrote:

> When running cp (QE-4.1) with nelup>neldw (...) in parallel
> environment the program cp.x stops with the error  [...]

the error you mention should have been fixed in v. 4.1.1.
The correct fix is this one:
http://qe-forge.org/cgi-bin/cvstrac/q-e/filediff?f=espresso/CPV/ortho.f90&v1=1.40&v2=1.41
that is, replace line marked with "-" with the one marked with "+":
           ALLOCATE( bephi_c ( nkbx, nlax*nspin ) )
           CALL redist_row2col( nupdwn(1), bephi, bephi_c, nkbx, nlax, 
descla(1,1) )
           IF( nspin == 2 ) THEN
-            CALL redist_row2col( nupdwn(1), bephi(1,nlax+1), 
bephi_c(1,nlax+1), nkbx, nlax, descla(1,2) )
+            CALL redist_row2col( nupdwn(2), bephi(1,nlax+1), 
bephi_c(1,nlax+1), nkbx, nlax, descla(1,2) )
           END IF
        END IF


P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy