Dear all,
We have been trying the GPU installation of AMBER 18. We encountered the
following error. Please suggest any possible solution.
Configuration is complete. But we have error in make install
Configure command : ./configure -crayxt5 -noX11 --skip-python -cuda -mpi
-openmp gnu
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[4]: *** [binrestart.o] Error 1
make[4]: Leaving directory
'/home/nucleic_acid_chem/194038001/amber18/src/pmemd/src'
Makefile:91: recipe for target 'cuda_parallel_SPFP' failed
make[3]: *** [cuda_parallel_SPFP] Error 2
make[3]: Leaving directory
'/home/nucleic_acid_chem/194038001/amber18/src/pmemd/src'
Makefile:33: recipe for target 'cuda_parallel' failed
make[2]: *** [cuda_parallel] Error 2
make[2]: Leaving directory
'/home/nucleic_acid_chem/194038001/amber18/src/pmemd'
Makefile:54: recipe for target 'cuda_parallel' failed
make[1]: *** [cuda_parallel] Error 2
make[1]: Leaving directory '/home/nucleic_acid_chem/194038001/amber18/src'
Makefile:7: recipe for target 'install' failed
make: *** [install] Error 2
Thank you in advance.
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Received on Wed Dec 11 2019 - 10:00:02 PST
