Hi!

I am trying to compile charmm on another machine. I have successfully installed it on our other machines without any major problem using:

./install.com gnu xxlarge M

Previously I have downloaded the mpirun package using:

apt-get install libopenmpi-dev

After which I compiled the charmm with:

./install.com gnu xxlarge M

However, on this machine I am able to compile it, but I receive the following error after I try to run the simulation:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:
At line 154 of file /home/paula/Software/charmm42/source/machdep/startup.src (unit = 5, file = 'stdin')
Fortran runtime error: Error closing file in OPEN statement

I am not sure if the mpirun package is causing this issue?

Thank you for your help