AMBER Archive (2008)

Subject: Re: AMBER: amber10: pmemd gfortran

From: Robert Duke (rduke_at_email.unc.edu)
Date: Fri Jul 25 2008 - 14:01:27 CDT

Sounds like a code generation problem in the compiler to me. My first guess
would be something about the return from the call, but who knows. True for
all versons of gfortran? (note -- I don't claim to support gfortran, I will
probably never claim to support gfortran unless it clearly matches
commercial compilers in performance and reliability...).
Regards - Bob

----- Original Message -----
From: "James W. Caldwell" <jim-bob_at_pacbell.net>
To: <amber_at_scripps.edu>
Sent: Friday, July 25, 2008 2:23 PM
Subject: AMBER: amber10: pmemd gfortran

>
> 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,
> jim
> ______________________________________________
> James W. Caldwell
> 229 Elsie St.
> San Francisco, CA 94110-5507
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