amber-developers: problems with NCSU in amber10

From: Carlos Simmerling <>
Date: Mon, 14 Apr 2008 13:15:35 -0400

I've got several problems with the NCSU code that I would put into
bugzilla but want to confirm first that we've not done something wrong.

ifort -c -w95 -vec_report0 -mp1 -ip -O3 -axNP -FR "-DDISABLE_NCSU" -o
ncsu-umbrella.o _ncsu-umbrella.f
fortcom: Error: _ncsu-umbrella.f, line 114: Error in opening the Library
module file. [NETCDF]
use netcdf, only : nf90_double, nf90_float

this was compiled with nobintraj so should not be looking for netcdf

fortcom: Error: _ncsu-umbrella.f, line 114: Name in only-list does not
exist. [NF90_FLOAT]
use netcdf, only : nf90_double, nf90_float
fortcom: Error: _ncsu-umbrella.f, line 755: This name does not have a type,
and must have an explicit type. [NF90_NOWRITE]
   rc = nf90_open(filename, nf90_nowrite, setid)

fortcom: Error: _ncsu-umbrella.f, line 810: Keyword arguments are invalid
without an explicit interface. [LEN]
   rc = nf90_inquire_dimension(setid, dimid, len = coeffs_len)

lots of errors like this until it finally fails compilation.

I also put -DDISABLE_NCSU in my config_amber.h, why are these trying to

thanks, just got back from a trip and want to get this tested ASAP but
too tired to notice something I've done wrong.

Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
CMM Bldg, Room G80
Stony Brook University E-mail:
Stony Brook, NY 11794-5115 Web:
Received on Fri Apr 18 2008 - 21:19:18 PDT
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