[ NVIDIA Grapics Card Error | MolCart 64 Bit | SGI | MolCart Install ]

Installation FAQ:

• I downloaded and installed ICM. It seems to start fine. However it dies every time I try to open something, giving an NVIDIA error. NVIDIA: Could not open the device file /dev/nvidiactl (Permission denied).
• I get chemlib.so erron:22 error when I install MolCart on 64Bit machines.
• I am having problems installing ICM on SGI.
• Where do I save my MolCart license?

21.1.1 I downloaded and installed ICM. It seems to start fine. However it dies every time I try to open something, giving an NVIDIA error. NVIDIA: Could not open the device file /dev/nvidiactl (Permission denied).

To permanently fix this problem you need to add the following line to /etc/logindevperm file

0 0666 /dev/nvidiactl:/dev/nvidia0:/dev/nvidia1:/dev/nvidia2:/dev/nvidia3

21.1.2 MolCart installation error on 64Bit machines

If you are installing MolCart and you come across this error:

Error> Can't open shared library 'chemlib.so' (errno: 22 chemlib.so: canno
t open shared object file: No such file or dire) (/usr/molcart-1.9-1/regmol
cart:52)
Error> error while running 'ExecSql(string("CREATE FUNCTION molcart_versi.
..))' (/usr/molcart-1.9-1/regmolcart:52)
Error> error while running 'regFunction(string("molcart_version"),string("
STRING"),)' (/usr/molcart-1.9-1/regmolcart:96)

Solution-- For 64 bit platforms molcart-1.9-1-linux64.sh should be used instead of molcart-1.9-1-linux.sh

21.1.3 SGI ICM installation problem

Question: I have a nodelocked license for ICM for SGI/Linux. I followed the installation instructions but ICM will not run and reports a license problem. What do I do?

Answer:

1. Be sure that you installed and configured the package correctly by doing the following:
   • Check the system variable ICMHOME by executing the command
     

     echo $ICMHOME

     and make sure that it points to the correct location where ICM was installed.

   
   
   • Check the license file by executing the following commands:
     

     ls -l $ICMHOME/license.dat
     cat $ICMHOME/license.dat
     

     Make sure everyone can read this file and that the contents are exactly the same as the original contents you received from Molsoft.

   
   
   • Check if you have a system variable with the name MOLSOFTD_LICENSE_FILE by executing the command
     

     echo $MOLSOFTD_LICENSE_FILE

     and make sure it points to the correct license.dat file in your ICMHOME directory.
     Note: You may not need this system variable - Correct it only if you have it.
   
   

   • Check if you have a system variable with the name LM_LICENSE_FILE by executing the command
     

     echo $LM_LICENSE_FILE

     and make sure it points to the correct license.dat file in your ICMHOME directory.
     

     Note: You may not need this system variable - Correct it only if you have it.

   
   
   • Check if you have a file ~/.flexlmrcby executing the command
     

     cat ~/.flexlmrc

     and make sure it points to the correct license.dat file in your ICMHOME directory.
     Note: You may not need this file. You can delete it and it will be created automatically the first time ICM starts successfully.
   
   
   • Download the lmhostid utility for SGI and run it on your system. Compare the output hostid number with the hostid number in your $ICMHOME/license.dat file. They must be the same.
     e.g.
     cd ___the_path_where_you_download_the_lmhostid_utility___
     chmod a+x lmhostid
     ./lmhostid
   
   
   • Set the flexlm diagnostic system variable to see which license file ICM will use on startup by executing the command

     setenv FLEXLM_DIAGNOSTICS 3 # if you use c-shell
     or
     FLEXLM_DIAGNOSTICS=3; export FLEXLM_DIAGNOSTICS; # if you use bash/sh shell

   • Run the ICM executable and check the diagnostic information to see if ICM uses the correct license file from $ICMHOME directory
2. If the steps from previous section do not help and ICM is still not working, send the EXACT COMPLETE output for the commands listed below to info@molsoft.com:
   
   echo $ICMHOME
   

   ls -l $ICMHOME/license.dat
   cat $ICMHOME/license.dat
   echo $MOLSOFTD_LICENSE_FILE
   echo $LM_LICENSE_FILE
   cat ~/.flexlmrc
   cd ___the_path_where_you_download_the_lmhostid_utility___
   

   chmod a+x lmhostid
   ./lmhostid
   
   #--- use only one of these two commands
   setenv FLEXLM_DIAGNOSTICS 3 # if you use c-shell
   # or
   

   FLEXLM_DIAGNOSTICS=3; export FLEXLM_DIAGNOSTICS; # if you use bash/sh shell
   #
   
   whereis icm
   # make sure you use the correct path to your new icm executable
   #--- if you installed ICM to a different location use the path
   

   # you choosed during the installation process
   icm -free -s -e "Version(full)";
   icm
   
   When we receive the log of the commands listed above, we will send you instructions for your specific problem.

21.1.4 Where do I save my MolCart license?

Save the MolCart license in:

/var/lib/mysql/license.dat