The ABINIT Users Mailing List ( CLOSED )

["Aaron S. Wolf" <wolf.aarons@gmail.com>]

Hi-

I have been trying off and on over the last couple months to install abinit. Originally, I was just trying to get a working version on my mac (running OS 10.5.7) to fool around with, but I was not successful. I now am trying to get it working on the beowulf cluster (running Red Hat Enterprise Linux 4) where I will actually be performing my calculations. Coincidentally, I have been having very similar problems installing on these two different machines. Any help you can provide is greatly needed and appreciated.


So far, I have download the source, and then run 'configure -disable-all-plugins' and compiled. I must disable the plugins in order to get the compilation step to complete, otherwise it always runs into errors. When the compiling says that it's done, I can try to run the tests, but the results are not positive. First of all, many of the make tests_* commands do not work at all (They give This does not build (no rule exists) errors). This includes tests_min, tests_acc, test1, etc... Luckily, make tests_in does work, but not all of the tests pass. Tests 1,2,& 3 pass but the process quits before test 4 passes (I attach that ouput at the bottom of this message). Following the advice of Yann Pouillon from my earlier install attempts, I ran make check and grepped for failed tests:
    
grep fail tests/*/*/report
      > tests/v4/,,test_Linux_20100109/report:Case_46            failed

Also, the 'src' directory never cleans up during the make step. It is still full of all the directories starting with numbers. It never creates a 'main' directory. Instead, the executables remain in the '98_main' directory. But the abinis does run, since it can pass some of the tests.

I would really appreciate any help that you can give. It seems like I am close to a correct compile, since I create semi-functional executables, but clearly I'm not there yet. I find it odd that I ran into these same difficulties on two totally different machines and operating systems. Unfortunately, I have no idea how to proceed.

Thanks!

Best,
Aaron Wolf

output for make tests_in command:

make basic_tests
make[1]: Entering directory `/ibrixfs1/home/awolf/codes/abinit-5.8.4'
cd ./tests && make tests_in
make[2]: Entering directory `/ibrixfs1/home/awolf/codes/abinit-5.8.4/tests'
Running built-in test in_1

 Status file, with repetition rate  99, status number   298

  Level abinit         : call driver   
  Level driver         : call gstate   
  Level gstate         : call brdmin   
  Level brdmin/moldyn  : call scfcv    
  itime   =    1
  Level scfcv          : call vtorho   
  istep   =    1
  Level vtorho         : call vtowfk   
  isppol  =    1
  ikpt    =    1
  Level vtowfk         : call zhpev    
  inonsc  =    1
  Level cgwf           : end loop iband
  iline   =  101

 Status file, with repetition rate  99, status number   298

  Level abinit         : call driver   
  Level driver         : call gstate   
  Level gstate         : call brdmin   
  Level brdmin/moldyn  : call scfcv    
  itime   =    1
  Level scfcv          : call vtorho   
  istep   =    1
  Level vtorho         : call vtowfk   
  isppol  =    1
  ikpt    =    1
  Level vtowfk         : call zhpev    
  inonsc  =    1
  Level cgwf           : end loop iband
  iline   =  101

 Status file, with repetition rate  99, status number   397

  Level abinit         : call driver   
  Level driver         : call gstate   
  Level gstate         : call brdmin   
  Level brdmin/moldyn  : call scfcv    
  itime   =    1
  Level scfcv          : call vtorho   
  istep   =    4
  Level vtorho         : enter         
  Level cgwf           : end loop iband
  iline   =  101

 Status file, with repetition rate  99, status number   397

  Level abinit         : call driver   
  Level driver         : call gstate   
  Level gstate         : call brdmin   
  Level brdmin/moldyn  : call scfcv    
  itime   =    1
  Level scfcv          : call vtorho   
  istep   =    4
  Level vtorho         : enter         
  Level cgwf           : end loop iband
  iline   =  101

 Status file, reporting on testin_1

 OK for total energy 
 OK for nuclei positions 
 OK for forces 
 OK for stresses 

Running built-in test in_2

 Status file, with repetition rate  49, status number   540

  Level abinit         : call driver   
  Level driver         : call gstate   
 OK for total energy 
 OK for nuclei positions 
 OK for forces 
 OK for stresses 

Running built-in test in_bigdft
STOP 1

 Status file, with repetition rate  49, status number    10

  Level abinit         : call driver   
  Level driver         : enter         
Running built-in test in_etsf_io

 Status file, with repetition rate  49, status number   344

  Level abinit         : call driver   
  Level driver         : call gstate   
  Level gstate         : call scfcv    
  Level scfcv          : endloop istep 
Running built-in test in_libxc
STOP 1

 Status file, with repetition rate  49, status number    10

  Level abinit         : call driver   
  Level driver         : enter         
Running built-in test in_wannier90
STOP 1
make[2]: Leaving directory `/ibrixfs1/home/awolf/codes/abinit-5.8.4/tests'
make[1]: Leaving directory `/ibrixfs1/home/awolf/codes/abinit-5.8.4'