ABINIT Discussion Forums

I have tested paralell calculation in ./tests/tparal_1.in, but it stops at: ================================================================================ getcut: wavevector= 0.0000 0.0000 0.0000 ngfft= 36 36 36 ecut(hartree)= 30.000 => boxcut(ratio)= 2.06487 scfcv : before setvtr, energies%e_hart...

Dear: When I performed the test/t41.file,there exits error as follows: *** glibc detected *** free(): invalid pointer: 0x0000002a99d35010 *** p0_15043: p4_error: interrupt SIGx: 6 forrtl: error (69): process interrupted (SIGINT) rm_l_1_29792: (2.921875) net_send: could not write to fd=5, errno = 32 ...

Dear all: I have did the test t11 in tutorial/Input, it appears: scprqt: WARNING - < nstep= 10 was not enough SCF cycles to converge; But in the Refs, nstep=6 is converged. Where is my problem? My version and system: .Version 6.2.3 of ABINIT < .(MPI version, prepared for a x86_64_linux_intel9.0 comp...

pouillon wrote:Which version of gfortran are you using?

Please note that Abinit can be compiled by gfortran >= 4.2 only.

I used gfortran = 4.2

Dear: I install ABNIT-5.8.2.When ./configure it has no error,but after I type "make",it appears: [sdwang@storage abinit-5.8.2]$ make make all-recursive make[1]: Entering directory `/home/sdwang/abinit-5.8.2' Making all in prereqs make[2]: Entering directory `/home/sdwang/abinit-5.8.2/prere...