Hi,
I installed cuda-8.0 in my ubuntu 16 with amber 16 and nvidia driver 384..
however, when I tested run...it gave me the following error
At line 122 of file master_setup.F90 (unit = 6, file = 'all_min_fixnoH.out')
Fortran runtime error: Cannot write to file opened for READ
At line 122 of file master_setup.F90 (unit = 6, file =
'all_min_fixbackbone.out')
Fortran runtime error: Cannot write to file opened for READ
At line 122 of file master_setup.F90 (unit = 6, file = 'all_min_nofix.out')
Fortran runtime error: Cannot write to file opened for READ
./run_min_protein.sh: line 9: min_helix2.pdb: Permission denied
my run_min_protein.sh is set up in the following:
export CUDA_VISIBLE_DEVICES=0
$AMBERHOME/bin/pmemd.cuda -O -i all_min_fixnoH.inp -o all_min_fixnoH.out
-p ../00.prep/helix2.prmtop -c ../00.prep/helix2.inpcrd -r
all_min_fixnoH.rst -x all_min_fixnoH.mdcrd -ref ../00.prep/helix2.inpcrd
$AMBERHOME/bin/pmemd.cuda -O -i all_min_fixbackbone.inp -o
all_min_fixbackbone.out -p ../00.prep/helix2.prmtop -c all_min_fixnoH.rst
-r all_min_fixbackbone.rst -x all_min_fixbackbone.mdcrd -ref
all_min_fixnoH.rst
$AMBERHOME/bin/pmemd.cuda -O -i all_min_nofix.inp -o all_min_nofix.out -p
../00.prep/helix2.prmtop -c all_min_fixbackbone.rst -r all_min_nofix.rst -x
all_min_nofix.mdcrd -ref all_min_fixbackbone.rst
$AMBERHOME/bin/ambpdb -p ../00.prep/helix2.prmtop -c all_min_nofix.rst >
min_helix2.pdb
Can someone tell me what causes the problem?
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Received on Sun Jun 24 2018 - 23:00:03 PDT
