Dear All,
I am installing amber18 with AmberTools19 in a GPU machine. The sander and
sander.MPI get installated properly and working, but during pmemd.MPI
installation following error is occurring.
"mpif90 -DMPI -DBINTRAJ -DEMIL -DPUBFFT -DGNU_HACKS -O3 -mtune=native
-I/home/sl302/Software/new_amb/amber18/include -c mdin_debugf_dat.F90
mpif90 -DMPI -DBINTRAJ -DEMIL -DPUBFFT -DGNU_HACKS -O3 -mtune=native
-I/home/sl302/Software/new_amb/amber18/include -c remd.F90
mpif90 -DMPI -DBINTRAJ -DEMIL -DPUBFFT -DGNU_HACKS -O3 -mtune=native
-I/home/sl302/Software/new_amb/amber18/include -c binrestart.F90
binrestart.F90:110:8:
if (NC_defineRemdIndices(ncid, remd_dimension, remd_indices_var_id,&
1
Error: Missing actual argument for argument ‘ismremd’ at (1)
Makefile:174: recipe for target 'binrestart.o' failed
make[3]: *** [binrestart.o] Error 1
make[3]: Leaving directory
'/home/sl302/Software/new_amb/amber18/src/pmemd/src'
Makefile:25: recipe for target 'parallel' failed
make[2]: *** [parallel] Error 2
make[2]: Leaving directory '/home/sl302/Software/new_amb/amber18/src/pmemd'
Makefile:38: recipe for target 'parallel' failed
make[1]: *** [parallel] Error 2
make[1]: Leaving directory '/home/sl302/Software/new_amb/amber18/src'
Makefile:7: recipe for target 'install' failed
make: *** [install] Error 2"
Kindly help in this regard.
Thanks
Shubhandra Tripathi, Ph.D
--
SHUBHANDRA TRIPATHI, Ph.D.
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Received on Mon Aug 17 2020 - 07:00:03 PDT
