search

jayponder / Tinker

1 stars 1 forks source link

Installation in linux machine #1

Closed DDGmichigan closed 4 years ago

DDGmichigan commented 5 years ago

Hi, I have downloaded the latest version of TINKER ( Tinker Complete Distribution (ZIP, 44.5 Mb)) Following instructions of Christoph J. given in the configure folder, I did these steps

  1. copy configure.ac and Makefile.am to the source folder
  2. cd ../source
  3. autoreconf -i -v
  4. ./configure 5 make

The steps seem okay till ./configure

However when I type make, I get the following error. please help

[source]$ make /bin/sh ./libtool --tag=F77 --mode=compile gfortran -g -O2 -c -o action.lo action.f libtool: compile: gfortran -g -O2 -c action.f -fPIC -o .libs/action.o libtool: compile: gfortran -g -O2 -c action.f -o action.o >/dev/null 2>&1 /bin/sh ./libtool --tag=F77 --mode=compile gfortran -g -O2 -c -o active.lo active.f libtool: compile: gfortran -g -O2 -c active.f -fPIC -o .libs/active.o active.f:20.9:

  use atoms
     1

Fatal Error: Can't open module file 'atoms.mod' for reading at (1): No such file or directory make: *** [active.lo] Error 1

jayponder commented 4 years ago

Don't try to use "configure" scripts. Just use the Makefile in the /make directory.

You should examine the Makefile, and change the directory locations at the top of file to match where you are building and installing, and uncomment the correct block of environment variables for your operating system and compiler combination. Then copy the Makefile into the /source directory and type "make".

Note that before using the Tinker Makefile, you will first need to have available the FFTW Fourier transform static libraries. You can build these libraries from the code provided in the /fftw directory, following the instructions in the 0README file.