AMBER Archive (2008)

Subject: AMBER: amber10: pmemd gfortran

From: James W. Caldwell (
Date: Fri Jul 25 2008 - 13:23:06 CDT

pmemd (and pmemd.MPI) compiled with gfortran stop for "no reason" in
master_setup.fpp(f90) unless the print statement below is inserted
in the code. pmemd/ifort does not need this.

  ! Read the input coordinates or restart file (inpcrd):

  call init_inpcrd_dat(num_ints, num_reals, inpcrd_natom, &
                       box_alpha, box_beta, box_gamma, &
                       box, t, inpcrd_title)

    print *,' '

  if (using_pme_potential) then

very strange,
James W. Caldwell
229 Elsie St.
San Francisco, CA 94110-5507
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