gcc old ，ccmake cannot continue

[huaxueali]

Hi Thomas！ The version of the server system in our laboratory is too old (rethat6.4) and cannot be connected to the Internet due to a virus. Our gcc version is 4.4.7. During the compilation of the source code package ccmake, the compilation cannot continue due to the gcc version problem. Do you have any suggestions? ,

[rneder]

Hi, the discus suite relies on Fortran 2008 and later, which was released in 2013. Older versions of the gfortan compiler do not include all elements of Fortran2008 and later. You could try to edit the file CMakeLists.txt lines 31 to 35 and replace the "4.6" by "4.4" and give it a try. I do not know what error messages you might get. If you use the bbb_install_script.sh you will find the file in DIFFUSE_INSTALL/develop/DiffuseCode. edit, and then try to compile again with: bbb_install_script.sh install=local code=current the optional parameter prevent overwriting the current files. Reinhard Neder

[pinkutech]

I am getting errors while running the simul.9.mac with Discus Suite. Can you please suggest me where I am doing wrong?

The list of errors is as follows:

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APPL Atom number outside limits -19 APPL Values for 'inc' are wrong -19 MAC Error in macro line: 15 Level 1 MAC simul.9.mac COMM Sub menu returned with error -10 COMM Error occured in symmetry menu -10 ***

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The "simul.9.mac" script is here

read cell perow.cell,8,8,8 find env, O, 0,0,0, 0.0,2.0 # symm uvw 0,0,1 type proper angl 10 trans 0,0,0 origin 0,0,0 power 1. mode repl sel o incl env run exit

[rneder]

Hi "pinkutech" the issue at hand is a bug in the symmetry menu that prevents the "inc env" command. I've fixed it and a corrected version will be released soon. A work around at the moment would be: read cell perow.cell,8,8,8 find env, O, 0,0,0, 0.0,2.0 show env # symm uvw 0,0,1 type proper angl 10 trans 0,0,0 origin 0,0,0 power 1. mode repl sel o incl env exit do LOOP=1, env[0] symmetry incl env[LOOP], env[LOOP] run exit enddo show env

Reinhard Neder