Questions About Installing RESCU On Clusters

BillJ

I am trying to install RESCU on a Compute Canada (CC) cluster. CC uses Lmod to manage its libraries so it fits section 2.3 of the RESCU documentation https://docs.nanoacademic.com/rescu/installation/advancedInstallation/.

I have a few questions when trying to follow the installation instruction.

I am trying to install with -smi and -libxc. If I understand correctly, I will have to load the module libxc, openmpi, openblas, and scalapack on CC, then I could install and use RESCU by defining a libpath.m file. But my question is, how do I know where exactly are these modules located? I.e what should I put in the quotation marks, say xc = ""? I tried to read through the CC documentation and I only found a vague sentence saying that it should be -l+<lib_name>. So for libxc it should be xc = "-llibxc". Is that correct?
When reading documentation 2.3 of RESCU, I realize that it seems that we do not need to specify a path to the openmpi library. Is that correct?
I also need an ip.dat file if I understand correctly. When trying to grab inet on Narval, for example, I got something like this:
inet 10.80.49.4 netmask 255.255.0.0 broadcast 10.80.255.255
inet6 fe80::bace:f6ff:fe0c:fbe9 prefixlen 64 scopeid 0x20<link>
inet 10.82.49.4 netmask 255.255.0.0 broadcast 10.82.255.255
inet6 fe80::bace:f603:4:9b44 prefixlen 64 scopeid 0x20<link>
inet 127.0.0.1 netmask 255.0.0.0
inet6 ::1 prefixlen 128 scopeid 0x10<host>
So I should put 10.80.49.4, 10.82.49.4, and 127.0.0.1 into ip.dat, is that correct?
I am a bit confused about how ip.dat works. Does that mean that every time I log into CC, I need to log into the same login node that I installed RESCU in the first place? Say, I installed RESCU using a node called Narval4 in the first place, then I will have to use Narval4 every time I tried to use RESCU, and Narval5 will not work?

Thank you for your help!

vincentm

BillJ

The ip.dat file is only necessary for RESCU < 2.7.0. We'll make that clearer in the documentation. If you use RESCU < 2.7.0, you can simply add 10.82.49.4 in the ip.dat file. 127.0.0.1 is unnecessary but doesn't hurt. So in doubt you can add all of them.

sbohloul

@BillJ

On CC you can use pkgconf to get more information regarding a loaded module. For example on narval I get this for libxc

module load libxc
pkgconf --libs libxc
-L/cvmfs/soft.computecanada.ca/easybuild/software/2020/avx2/Compiler/intel2020/libxc/5.1.3/lib64 -lxc

Once you load openmpi module, you do not need to specify its path at installation. It's already available on the system path.

We have observed inconsistencies in CC scalapack, openblas and libxc modules from time to time. If you run into any issues using these modules, you may want to have your own installation of them.