I am attempting to install AMBER16 on a Ubuntu 16 OS. I have installed python 2.7.12. I get the following error when I run "./configure gnu" for my serial build ( I will follow this with the mpi build):
============================================================
Error: Dependency missing in current linux-64 channels:
- nomkl -> blas * openblas
You can search for this package on anaconda.org with
anaconda search -t conda blas * openblas
You may need to install the anaconda-client command line client with
conda install anaconda-client
Error occurred during Python install:
Installing packages
Problem installing Miniconda... see error above.
Configure failed due to the errors above!
======================================================================
I then installed "openblas" using:
sudo apt-get install libopenblas-dev
This installed it.
This seemed to work (i.e. ./configure gnu did run) , but I guess this did not correct the "Miniconda" problem because when I ran "make -j8 install" I get the error that "amber.python" as with amber.ipython etc..was not created and installal in the /bin directory...
I noticed that the program "conda" is found in the "miniconda" directory. I just am not sure what to do now..? Can someone assist me??
Thanks, Steve
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Received on Thu Apr 18 2019 - 09:00:03 PDT
