Fox grid2 #59
Fox grid2 #59
Conversation
code is based on project https://github.com/janrohlicek/GridLib files are the separate forlder foxgrid
It did not add the folder location to the filename and the result was not shown
|
Is this working under windows when creating a job from an xml file ? I could not make this work under macOS - the job window creation remains stuck as if the number of trials provided was zero regardless of the number given. |
Hi, it works well under windows. Strange, that it does not work under MacOS. I will check for possible errors... |
|
Could you also merge back the main branch into this one ? There's a conflict with the visual c++ project file (now that I merged the ssNMR branch), it's likely better if you do this merge. |
* master: Update wxWidgets to version 3.2.5
|
OK, I found the issue when editing a job: you are using Using |
* commit '6770100aee1a7814f2f82a8a8cece6e4199a25de': Correct mutable vector<vector<int> > (missing space between >>) Remove IMD in GUI and one bug Removing mName from ScatteringComponent Getting back one change that should not be in ssNMR branch InterMolDistPar::mAt1 -> vector Fine tunning speeding up Updating project file Bug repaired Trying to rewrite/restore the lost code changes from GUI Update Crystal.cpp InterMolDistPar XML input and output InterMolDistCost and Scale in GUI ssNMR: user-input introduced window with a list of intermolecular restraints **The aim of this branch is to introduce intermolecular distances (conditions) between selected atoms and calculation of additional cost function based on that. Intermolecular distances can be measured by ssNMR.** # Conflicts: # .gitignore # Fox/Fox_vc12.vcxproj
|
@janrohlicek OK, I should have fixed the compilation on macOS and linux. I let you check if everything is still OK under windows, then I will merge. I has some issues starting the local client in macOS, it was not always working, not yet sure why. otherwise looks good ! |
|
Hi, I apologize, I was out of PC during the weekend. Both, client and master search free ports for communication. They check it using the GridCommunication::getUsedPorts(). This function uses netstat -an command to get the info about free ports. Isnt that the source of troubles under macOS? |
I don't know - it did not work a few times, and then it did - I am not sure why. Maybe there was still a Fox client leftover, and that created an issue. I'll do some more tests when I have the time, but don't worry about it. Can you test if the code works for you correctly under windows correctly (also the parts coming from inter-molecular restraints). If yes, I'll merge the code, and can start preparing a release (or maybe beta release) by the end of the week so it's available for you at EPDIC. |
|
I just finished testing on 3 PCs in the network and it works. Also the ssNMR functionality works. Great!:) |
Re-worked Fox Grid interfaces