Hi All,
Trying to compile PMEMD with git pull from today (commit ca8672c6c89...)
using gfortran 4.4.7 I hit the following snag:
gfortran -DBINTRAJ -DEMIL -DPUBFFT -O3 -mtune=native -DCUDA -Duse_SPFP
-I/uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-kepler/include-c
pme_direct.F90
get_nb_energy_ti.i:108.13:
Included at pme_direct.F90:357:
procedure (func), pointer, nopass :: f
1
Error: Fortran 2003: Procedure components at (1) are not yet implemented in
gfortran
Seems this is the result of the recent optimizations to the nonbonded code
calcs in which function pointers are used. I *think* function pointers have
been in Gnu since 4.6 maybe? Are we just no longer supporting older
compilers that dont have support for function pointers in fortran (at least
for pmemd)?
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue Feb 18 2014 - 14:30:04 PST
