Hi all,
I did tried to install AmberTools15 with Amber14, when I did "make" within
"sqm" directory, I got the following errors,
mpif90 -DBINTRAJ -DEMIL -DMPI -DSQM -c -ip -O3 -fpic -FR
-I/opt/intel/apps/amber/14/intel/amber14//include
-I/opt/intel/apps/amber/14/intel/amber14//include -o qm2_energy.SQM.o
qm2_energy.F90
qm2_energy.F90(187): error #6404: This name does not have a type, and must
have an explicit type. [QMMM_SCRATCH]
call
mpi_reduce(qm_gb%gb_mmpot,qmmm_scratch%matsize_red_scratch,qmmm_struct%nquan
t_nlink, &
---------------------------------------^
qm2_energy.F90(187): error #6460: This is not a field name that is defined
in the encompassing structure. [MATSIZE_RED_SCRATCH]
call
mpi_reduce(qm_gb%gb_mmpot,qmmm_scratch%matsize_red_scratch,qmmm_struct%nquan
t_nlink, &
----------------------------------------------------^
qm2_energy.F90(190): error #6514: A substring must be of type CHARACTER.
[MATSIZE_RED_SCRATCH]
qm_gb%gb_mmpot(1:qmmm_struct%nquant_nlink) =
qmmm_scratch%matsize_red_scratch(1:qmmm_struct%nquant_nlink)
--------------------------------------------------------------------^
qm2_energy.F90(190): error #6303: The assignment operation or the binary
expression operation is invalid for the data types of the two operands.
[MATSIZE_RED_SCRATCH]
qm_gb%gb_mmpot(1:qmmm_struct%nquant_nlink) =
qmmm_scratch%matsize_red_scratch(1:qmmm_struct%nquant_nlink)
--------------------------------------------------------------------^
compilation aborted for qm2_energy.F90 (code 1)
make: *** [qm2_energy.SQM.o] Error 1
I need a quick response from you guys. Please give a solution ASAP.
Regards,
Prasanna
Cont. : (+91) 770 287 6655
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Received on Tue Aug 11 2015 - 02:00:03 PDT
