[AMBER] GPU installation error

From: Sruthi Sudhakar <sruthisudhakarraji.gmail.com>
Date: Wed, 11 Dec 2019 23:17:45 +0530

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,&


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

Makefile:91: recipe for target 'cuda_parallel_SPFP' failed

make[3]: *** [cuda_parallel_SPFP] Error 2

make[3]: Leaving directory

Makefile:33: recipe for target 'cuda_parallel' failed

make[2]: *** [cuda_parallel] Error 2

make[2]: Leaving directory

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
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