Dear Amber Users,
Recently we were trying to install AMBER 14 and AmberTools 15 in our SGE
HPC cluster. We got the following error messages for “*make*” within “*sqm*”
directory
*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%nquant_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%nquant_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*
*Anny suggestions are well appreciated.*
*Thanks and regards,*
*Himansu*
--
~~~~~~~~~~~~~~~~~~~~~~~~~~~
*Dr. Himansu S. Biswal*
Assistant Professor
School of Chemical Sciences,
National Institute of Science
Education and Research(NISER),
Bhubaneswar-751005, Orissa, INDIA.
Mob: +91 917 831 1188
*E-mail :himansu.niser.ac.in <himansu.niser.ac.in>
himansubiswal.gmail.com <himansubiswal.gmail.com>*
~~~~~~~~~~~~~~~~~~~~~~~~~~~
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Received on Tue Aug 11 2015 - 03:30:04 PDT
