Just because of the video speeding up and down, at 4:00-4:05 it's very easy to miss a step: you need to also run "sudo make install" after the "make" command is finished. If this step is omitted, you will not find the .openmpi directory when running "ls ~/.openmpi/" (this happened to me)
In case of centos give the command 'yum install gcc-fortran' to install gfortran, before installing openmpi. Else the jobs would terminate giving mpi-based errors.
How could I installed orca and open-mpi in cluster? I only know that I write in the input file: %pal nprocs n end, where "n" is the number of processors. Thanks you in advance
Do you first need to install ORCA and then OPENMPI or is it the other way around? Second question : what if there is already an older version of ORCA and OPENMPI and you just want to update the version. Is it enough to use commands "apt-get update xxx" or is it more complicated than that? (older versions : Orca: 4.1.1 - OpenMPI 3.1.3 - desired version : 4.2.1 and 3.1.4)
sir, when writing down " ls ~/.openmpi/ ", It gives me that "no acsess to "/home/user/.openmpi/" or there is no such a folder. What is the reason for? waht can I do? Let me explain that I have a folder "openmpi".
Just because of the video speeding up and down, at 4:00-4:05 it's very easy to miss a step: you need to also run "sudo make install" after the "make" command is finished.
If this step is omitted, you will not find the .openmpi directory when running "ls ~/.openmpi/" (this happened to me)
also ensure you have compilers: run "sudo apt-get install gfortran" if you don't have it and I also installed "sudo apt-get install gcc"
In case of centos give the command 'yum install gcc-fortran' to install gfortran, before installing openmpi. Else the jobs would terminate giving mpi-based errors.
I had problems with oprnmpi work, so with gcc you need to install gfortran to calculate "real molecules"
How could I installed orca and open-mpi in cluster? I only know that I write in the input file: %pal nprocs n end, where "n" is the number of processors. Thanks you in advance
Do you first need to install ORCA and then OPENMPI or is it the other way around?
Second question : what if there is already an older version of ORCA and OPENMPI and you just want to update the version. Is it enough to use commands "apt-get update xxx" or is it more complicated than that? (older versions : Orca: 4.1.1 - OpenMPI 3.1.3 - desired version : 4.2.1 and 3.1.4)
sir, when writing down " ls ~/.openmpi/ ", It gives me that "no acsess to "/home/user/.openmpi/" or there is no such a folder. What is the reason for? waht can I do? Let me explain that I have a folder "openmpi".
I think you need to also do "sudo make install" check out 4:00-4:05... the video is kind of messed up there
Can you please make a video on . How to install standard (not parallel) in Linux (Fedora)
Does this program work in Mac?
yes, it is actually easier to install to Mac
Here's another walk through video that was helpful for me: th-cam.com/video/QIMAu_o_5V8/w-d-xo.html