|Posted on Saturday, September 12, 2015 - 3:40 am: |
When I submit a g09 job, I got the following error message,
"/opt/g09.D01//g09/g09: error while loading shared libraries: libmkl_intel_ilp64.so: cannot open shared object file: No such file or directory"
I can run the same g09 job under a tcsh shell with LD_LIBRARY_PATH set the library folder. However, I do not know how to set this variable for WebMO. I tried to add the path in gaussianmgr_admin.cgi (e.g., $LD_LIBRARY_PATH = "$GAUSS_EXEDIR:/opt/intel/lib/intel64) but it does not seem to work. I appreciate any hint to fix this problem. Thanks.
|Posted on Saturday, September 12, 2015 - 3:49 am: |
I found a solution to this problem from another post. I should set the path in run_gaussian.cgi instead of in gaussianmgr_admin.cgi. I can now run the g09 job.
|Posted on Monday, September 28, 2015 - 2:10 am: |
When I try to access computing node on our hpc, I got the following error.
/opt/softwares/ is my gaussian installation folder shared in nfs.
[11:24:43 cymsc02@HPC ~]$ ssh cn050
Last login: Mon Sep 28 10:56:16 2015 from xxxxx.xxxx.ac.in
-bash: /opt/softwares/cy/gaussian/g09/bsd/g09.profile: Permission denied
Please let me know how to resolve the above issue.
|Posted on Thursday, February 25, 2016 - 9:46 am: |
I'm having a similar problem with NWchem; I can manually run a job using shell commands, but it won't run through the interface.
/opt/nwchemnew/nwchem65/Nwchem-6.5.26243/bin/LINUX64/nwchem: error while loading shared libraries: libmkl_intel_ilp64.so: cannot open shared object file: No such file or directory
I could not find the "other post" referred to in the thread; what is the appropriate way to address this?
Post Number: 495
|Posted on Thursday, February 25, 2016 - 10:30 am: |
If you download the newest version of WebMO, you can directly specify the LD_LIBRARY_PATH by editing the nwchem.int configuration file.
|Posted on Monday, February 29, 2016 - 9:59 am: |
I tried adding the line below to the nwchem.int file:
I triple checked to make sure the path names (and that the paths themselves) were correct, and they are indeed the same as what they are when exporting the LD_LIBRARY_PATH variable for running a job via shell commands--but it still doesn't work. Any idea what I'm missing?