Hi all,
To make sure I have the most up-to-date version of Amber 10, I downloaded a
copy of the Amber 10 release (from the CVS tree) then applied the patches
bugfix.all and bugfix_at.all, using the specified patch command. The patches
apparently proceeded with no problems. However, when it comes time to
compile, I issue the command
[user.computer src]$ make -f Makefile serial
and get the following responses:
Using ifort on Linux:
---------------------
---------------------
ifort -c -w95 -vec_report0 -mp1 -O0 -FR -I../../sander -I../src/include
-DHAS_LAPACK -DQMMM -o ../obj/freq_qmmm.o ../src/freq/freq.F90
fortcom: Error: ../src/freq/freq.F90, line 11: Name in only-list does not
exist.
[QMMM_DIV]
use qmmm_module, only: qmmm_struct, qmmm_div
---------------------------------------^
fortcom: Error: ../src/freq/freq.F90, line 38: The structure-name is invalid
or is missing.
dimension dcl(3,qmmm_div%ntotatm+qmmm_struct%nlink)
------------------^
fortcom: Error: ../src/freq/freq.F90, line 38: A specification expression
object must be a dummy argument, a COMMON block object, or an object
accessible through host or use association [QMMM_DIV]
dimension dcl(3,qmmm_div%ntotatm+qmmm_struct%nlink)
------------------^
Using gfortran on Mac:
----------------------
----------------------
gfortran -c -O0 -fno-range-check -fno-second-underscore -ffree-form
-I../../sander -I../src/include -DHAS_LAPACK -DQMMM -o ../obj/freq_qmmm.o
../src/freq/freq.F90
../src/freq/freq.F90:11.38:
use qmmm_module, only: qmmm_struct, qmmm_div
1
Error: Symbol 'qmmm_div' referenced at (1) not found in module 'qmmm_module'
../src/freq/freq.F90:38.26:
dimension dcl(3,qmmm_div%ntotatm+qmmm_struct%nlink)
1
Error: Expected another dimension in array declaration at (1)
Whereupon in either case the compilation is immediately aborted.
It looks to me as though a necessary declaration for qmmm_div is missing.
Could someone (perhaps the authors of the relevant QM/MM changes) tell me
where such a declaration is to be added? Thanks!
Best regards,
Ben
--
Benjamin P. Roberts
Postdoctoral Research Associate
Quantum Theory Project
University of Florida
2301 New Physics Building #92
PO Box 118435
Gainesville FL 32611-8435
USA
Phone: +1 352 392 6712
Cell: +1 352 222 3677
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Received on Fri Mar 06 2009 - 01:11:01 PST
