Dear Amber Usears,I have a question regrading Ambertools18 installation and appreciate any help in advance.I am trying to install Ambertool2018 in Linux to use SQM program and antechamber
So I downloaded the source from the amber webpage thencd amber18
export AMBERHOME=...
./configure -mpi gnusource amber.sh
make installbut in this way, these two programs would not installed and when I go two their folders and use their Makefiles to install them they installedbut I am getting this error during the run, that "Attempting to use an MPI routine before initializing MPI"
Could someone please help me with installation here?How could I install ambertools so I could have these two programs SQM and antechamber appropriately.Thanks in advance,
Best regards,Sina
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Received on Mon May 06 2019 - 02:00:02 PDT
