AMBER Archive (2008)

Subject: Re: AMBER: amber10: pmemd gfortran

From: David A. Case (case_at_scripps.edu)
Date: Fri Jul 25 2008 - 14:05:23 CDT

On Fri, Jul 25, 2008, James W. Caldwell wrote:
>
> 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

I don't have this problem, at least using gfortran 4.1.2 on x86_64. Can you
post the config.h file you are using, plus the version of gfortran?

...dac

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