problem of vdw-df on vasp 5.2.12 11Nov11
Posted: Tue Feb 11, 2014 9:41 am
Dear All,
I can only use vdw-df1 and vdw-df2 functionals in serial in vasp 5.2.12 11Nov11 but fail in parallel. I download the vdw kernel and create a symbolic link to it in the job directory. Also I directly copy the kernel to the job directory. The following is the error message. What is problem? Thank you for your help.
zhu
vasp:7949 terminated with signal 11 at PC=4a657b SP=7fff62eb7f60. Backtrace:
vasp:7956 terminated with signal 11 at PC=4a657b SP=7fffc5d98e60. Backtrace:
vasp:7953 terminated with signal 11 at PC=4a657b SP=7ffffc52c360. Backtrace:
vasp:7950 terminated with signal 11 at PC=4a657b SP=7fff5f3e3660. Backtrace:
vasp:7951 terminated with signal 11 at PC=4a657b SP=7fffc50934e0. Backtrace:
vasp:7952 terminated with signal 11 at PC=4a657b SP=7fff2a5e4ce0. Backtrace:
vasp:7954 terminated with signal 11 at PC=4a657b SP=7fff4abd1760. Backtrace:
vasp:7955 terminated with signal 11 at PC=4a657b SP=7fffebcfc6e0. Backtrace:
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(main+0x3c)[0x4317ac]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(main+0x3c)[0x4317ac]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(main+0x3c)[0x4317ac]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(main+0x3c)[0x4317ac]
vasp(main+0x3c)[0x4317ac]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
vasp(main+0x3c)[0x4317ac]
vasp(main+0x3c)[0x4317ac]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
vasp[0x4316a9]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
vasp[0x4316a9]
vasp[0x4316a9]
vasp[0x4316a9]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
vasp[0x4316a9]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
vasp[0x4316a9]
vasp[0x4316a9]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(main+0x3c)[0x4317ac]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
vasp[0x4316a9]
--------------------------------------------------------------------------
mpirun has exited due to process rank 5 with PID 7954 on
node cn048 exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------
I can only use vdw-df1 and vdw-df2 functionals in serial in vasp 5.2.12 11Nov11 but fail in parallel. I download the vdw kernel and create a symbolic link to it in the job directory. Also I directly copy the kernel to the job directory. The following is the error message. What is problem? Thank you for your help.
zhu
vasp:7949 terminated with signal 11 at PC=4a657b SP=7fff62eb7f60. Backtrace:
vasp:7956 terminated with signal 11 at PC=4a657b SP=7fffc5d98e60. Backtrace:
vasp:7953 terminated with signal 11 at PC=4a657b SP=7ffffc52c360. Backtrace:
vasp:7950 terminated with signal 11 at PC=4a657b SP=7fff5f3e3660. Backtrace:
vasp:7951 terminated with signal 11 at PC=4a657b SP=7fffc50934e0. Backtrace:
vasp:7952 terminated with signal 11 at PC=4a657b SP=7fff2a5e4ce0. Backtrace:
vasp:7954 terminated with signal 11 at PC=4a657b SP=7fff4abd1760. Backtrace:
vasp:7955 terminated with signal 11 at PC=4a657b SP=7fffebcfc6e0. Backtrace:
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(main+0x3c)[0x4317ac]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(main+0x3c)[0x4317ac]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(main+0x3c)[0x4317ac]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(vdw_calc_spin_+0x1083)[0x4a657b]
vasp(vdw_ll_mp_vdw_nonloc_spin_+0x21a)[0x49f442]
vasp(fexcgs_vdw__+0xf09)[0x559e3b]
vasp(fexcgs_+0x1213)[0x554e0b]
vasp(pot_mp_potlok_+0x469)[0x65882d]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(main+0x3c)[0x4317ac]
vasp(main+0x3c)[0x4317ac]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
vasp(main+0x3c)[0x4317ac]
vasp(main+0x3c)[0x4317ac]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
vasp[0x4316a9]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
vasp[0x4316a9]
vasp[0x4316a9]
vasp[0x4316a9]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
vasp[0x4316a9]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
vasp[0x4316a9]
vasp[0x4316a9]
vasp(elmin_+0xaa1)[0x826ff1]
vasp(MAIN__+0x1f273)[0x450a33]
vasp(main+0x3c)[0x4317ac]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3e0081ec5d]
vasp[0x4316a9]
--------------------------------------------------------------------------
mpirun has exited due to process rank 5 with PID 7954 on
node cn048 exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------