Did you first install the serial version and then proceed to install them pi version?
Otherwise that should be your next step
./configure gnu
then
./configure -mpi gnu
Best regards
// Gustaf
> On 6 May 2019, at 10:59, Sina <bikaran111.yahoo.com> wrote:
>
> 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 - 04:00:02 PDT
