Re: [AMBER] Ambertools2018/SQM installation

From: Gustaf Olsson <>
Date: Mon, 6 May 2019 10:36:28 +0000

Did you first install the serial version and then proceed to install them pi version?

Otherwise that should be your next step

./configure gnu


./configure -mpi gnu

Best regards
// Gustaf

> On 6 May 2019, at 10:59, Sina <> 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
> 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
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