[Wien] scf error (supercell)

Maybe the supercell is too big / your RMTs are too small / your RKmax is too large for your computer and the sequential version. Try to reduce RKMAX and check if it is running. Am 21.02.2012 20:25, schrieb Saba Sabeti: > Dear Gavin Abo, > Thanks for your attention, > The ifort and mkl versions b

[Wien] scf error (supercell)

Dear Gavin Abo, Thanks for your attention, The ifort and mkl versions both are 11.0. Yes,there's "ulimit -s unlimited" in my .bashrc. the system has the same ifort/mkl versions and wien2k version,but actually I didn't understand what you meant by compiler setting? Furthermore,I should add that t

[Wien] scf error (supercell)

What versions of ifort and mkl are you using? "ulimit -s unlimited" in your .bashrc? If other system has the same hardware, are ifort/mkl versions, Wien2k version, and compiler settings the same? On 2/18/2012 2:05 PM, Saba Sabeti wrote: > Dear all, > I encountered this error just after running

[Wien] scf error (supercell)

Dear all, I encountered this error just after running scf for a 2*2*1 supercell (once lapw0 is run) LAPW0 END forrtl: severe (174): SIGSEGV, segmentation fault occurred Image? PC??? Routine??? Line??? Source libpthread.so.0??? 0039A4D0C790? Un