Dear all,
I would like to install Cpptraj with openmp.So I have followed these steps:1) ./configure -openmp gnuthen it shows this error:
ERROR: RISM and PBSA FFT solver require version 4.3 or higher of the GNU compiler.
Please re-run configure with the '-nofftw3' flag to use this compiler:
./configure -nofftw3 -openmp gnu
Configure failed due to the errors above!
Then I have followed this command:2) ./configure -nofftw3 -openmp gnu
It shows :Error: NetCDF C compile failed.
Check /home/sandipp/AMBER14/amber14//AmberTools/src/netcdf-4.3.0/netcdf.c.compile.log
for errors.
Then I have checked the amber archive
http://archive.ambermd.org/201509/0085.html
Then I have followed :
3) ./configure -openmp -amberlib gnu
It shows This error :Error: unknown flag: -amberlib
Type './configure -help' for options.
Configure failed due to the errors above!
Now What should I do ??Plz Help me
Saikat
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Received on Thu Jan 04 2018 - 23:00:02 PST
