After getting the new makefiles etc from the CVS tree this morning, I
now get this when trying to build AmberTools:
<snip>
cpp -traditional -P sqm.f > _sqm.f
ifort -c -O2 -FR -o sqm.o _sqm.f
fortcom: Error: _sqm.f, line 81: Error in opening the compiled module
file. Check INCLUDE paths. [QMMM_MODULE]
use qmmm_module, only : qmmm_nml,qmmm_struct, qmmm_mpi,
qm2_struct, qm_gb
-------^
fortcom: Error: _sqm.f, line 82: Error in opening the compiled module
file. Check INCLUDE paths. [SQM_MINIMIZATION]
use sqm_minimization
-------^
fortcom: Error: _sqm.f, line 214: Conflicting attributes or multiple
declaration of name. [QMMM_STRUCT]
qmmm_struct%qm_mm_first_call = .true.
---^
fortcom: Error: _sqm.f, line 214: This is not a field name that is
defined in the encompassing structure. [QM_MM_FIRST_CALL]
qmmm_struct%qm_mm_first_call = .true.
---------------^
fortcom: Error: _sqm.f, line 214: The assignment operation or the
binary expression operation is invalid for the data types of the two
operands.
qmmm_struct%qm_mm_first_call = .true.
----------------------------------^
fortcom: Error: _sqm.f, line 215: Conflicting attributes or multiple
declaration of name. [QMMM_STRUCT]
qmmm_struct%fock_first_call = .true.
---^
fortcom: Error: _sqm.f, line 215: This is not a field name that is
defined in the encompassing structure. [FOCK_FIRST_CALL]
qmmm_struct%fock_first_call = .true.
---------------^
fortcom: Error: _sqm.f, line 215: The assignment operation or the
binary expression operation is invalid for the data types of the two
operands.
qmmm_struct%fock_first_call = .true.
---------------------------------^
fortcom: Error: _sqm.f, line 216: Conflicting attributes or multiple
declaration of name. [QMMM_STRUCT]
qmmm_struct%fock2_2atm_first_call = .true.
---^
fortcom: Error: _sqm.f, line 216: This is not a field name that is
defined in the encompassing structure. [FOCK2_2ATM_FIRST_CALL]
qmmm_struct%fock2_2atm_first_call = .true.
---------------^
fortcom: Error: _sqm.f, line 216: The assignment operation or the
binary expression operation is invalid for the data types of the two
operands.
qmmm_struct%fock2_2atm_first_call = .true.
---------------------------------------^
fortcom: Error: _sqm.f, line 218: Conflicting attributes or multiple
declaration of name. [QMMM_STRUCT]
qmmm_struct%qm2_allocate_e_repul_first_call = .true.
---^
fortcom: Error: _sqm.f, line 218: This is not a field name that is
defined in the encompassing structure.
[QM2_ALLOCATE_E_REPUL_FIRST_CALL]
qmmm_struct%qm2_allocate_e_repul_first_call = .true.
---------------^
fortcom: Error: _sqm.f, line 218: The assignment operation or the
binary expression operation is invalid for the data types of the two
operands.
qmmm_struct%qm2_allocate_e_repul_first_call = .true.
-------------------------------------------------^
fortcom: Error: _sqm.f, line 220: Conflicting attributes or multiple
declaration of name. [QMMM_STRUCT]
qmmm_struct%qm2_calc_rij_eqns_first_call = .true.
---^
fortcom: Error: _sqm.f, line 220: This is not a field name that is
defined in the encompassing structure. [QM2_CALC_RIJ_EQNS_FIRST_CALL]
qmmm_struct%qm2_calc_rij_eqns_first_call = .true.
---------------^
fortcom: Error: _sqm.f, line 220: The assignment operation or the
binary expression operation is invalid for the data types of the two
operands.
qmmm_struct%qm2_calc_rij_eqns_first_call = .true.
----------------------------------------------^
fortcom: Error: _sqm.f, line 221: Conflicting attributes or multiple
declaration of name. [QMMM_STRUCT]
qmmm_struct%qm2_scf_first_call = .true.
---^
fortcom: Error: _sqm.f, line 221: This is not a field name that is
defined in the encompassing structure. [QM2_SCF_FIRST_CALL]
qmmm_struct%qm2_scf_first_call = .true.
---------------^
fortcom: Error: _sqm.f, line 221: The assignment operation or the
binary expression operation is invalid for the data types of the two
operands.
qmmm_struct%qm2_scf_first_call = .true.
------------------------------------^
fortcom: Error: _sqm.f, line 222: Conflicting attributes or multiple
declaration of name. [QMMM_STRUCT]
qmmm_struct%zero_link_charges_first_call = .true.
---^
fortcom: Error: _sqm.f, line 222: This is not a field name that is
defined in the encompassing structure. [ZERO_LINK_CHARGES_FIRST_CALL]
qmmm_struct%zero_link_charges_first_call = .true.
---------------^
fortcom: Error: _sqm.f, line 222: The assignment operation or the
binary expression operation is invalid for the data types of the two
operands.
qmmm_struct%zero_link_charges_first_call = .true.
----------------------------------------------^
fortcom: Error: _sqm.f, line 223: Conflicting attributes or multiple
declaration of name. [QMMM_STRUCT]
qmmm_struct%adj_mm_link_pair_crd_first_call = .true.
---^
fortcom: Error: _sqm.f, line 223: This is not a field name that is
defined in the encompassing structure.
[ADJ_MM_LINK_PAIR_CRD_FIRST_CALL]
qmmm_struct%adj_mm_link_pair_crd_first_call = .true.
---------------^
fortcom: Error: _sqm.f, line 223: The assignment operation or the
binary expression operation is invalid for the data types of the two
operands.
qmmm_struct%adj_mm_link_pair_crd_first_call = .true.
-------------------------------------------------^
fortcom: Error: _sqm.f, line 275: Conflicting attributes or multiple
declaration of name. [QMMM_MPI]
qmmm_mpi%commqmmm_master = master
---^
fortcom: Error: _sqm.f, line 275: This is not a field name that is
defined in the encompassing structure. [COMMQMMM_MASTER]
qmmm_mpi%commqmmm_master = master
------------^
fortcom: Error: _sqm.f, line 275: The assignment operation or the
binary expression operation is invalid for the data types of the two
operands. [MASTER]
qmmm_mpi%commqmmm_master = master
------------------------------^
fortcom: Error: _sqm.f, line 276: Conflicting attributes or multiple
declaration of name. [QMMM_MPI]
qmmm_mpi%numthreads = 1
---^
fortcom: Severe: Too many errors, exiting
compilation aborted for _sqm.f (code 1)
make[1]: *** [sqm.o] Error 1
make[1]: Leaving directory `/scr/wukong_2/roberts/apps/amber11/src/sqm'
make: *** [install] Error 2
What's the best fix here? Is it something in the makefile? It looks as
though _qmmm_module.f isn't being created, for example. Should it be?
Are things being run in a wrong order?
Cheers,
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
Member of the Royal Australian Chemical Institute
and of the American Chemical Society
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Received on Wed Aug 19 2009 - 20:32:59 PDT
