These are out-of-bounds errors: the code is trying to access a non-existing array element. This kind of errors is serious and must not be present. In the specific case: the first two errors are harmless, since the out-of-bound element is not assigned a value or used in calculations. The third seems more serious. Apparently the array that goes out of bounds serves no purpose, but I don't know much about that part of the code. Thank you for reporting this.
Paolo On Sat, Sep 3, 2016 at 2:50 AM, Fabricio Cannini <fcann...@gmail.com> wrote: > Hello there > > I'm facing errors in a few tests of espresso 5.4.0. > I'm compiling it a centos 6.x machine in the following manner: > ===================================================================== > FC = intel 15.0 > MPI = impi 5.0 > BLAS/LAPACK = mkl 11.2 > FFT = fftw 3.3.5 > > BLAS_LIBS="-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core" > LAPACK_LIBS="-lmkl_core" > FFT_LIBS="-lfftw3" > FFLAGS="-O2 -assume byterecl -g -traceback -fpe0 -CB -openmp" > MPIF90=mpiifort > > ./configure --enable-openmp --enable-parallel --without-scalapack > > make pw cp ph neb epw > ===================================================================== > > > When running the pw tests, some of those fail no matter how many mpi > processes I use. > > 'pw_b3lyp/b3lyp-h2o.in' and 'pw_b3lyp/b3lyp-O.in' fail with the error > message: > --------------------------- > forrtl: severe (408): fort: (2): Subscript #1 of the array CORR has > value 12 which is greater than the upper bound of 10 > > Image PC Routine Line > Source > pw.x 00000000016F0EF0 Unknown Unknown Unknown > pw.x 0000000000D7B085 funct_mp_set_dft_ 597 > funct.f90 > pw.x 0000000000D79837 funct_mp_enforce_ 723 > funct.f90 > pw.x 0000000000E2E054 read_pseudo_mod_m 101 > read_pseudo.f90 > pw.x 00000000006EA301 iosys_ 1444 > input.f90 > pw.x 00000000004080B9 run_pwscf_ 63 > run_pwscf.f90 > pw.x 0000000000407FBD MAIN__ 30 > pwscf.f90 > pw.x 0000000000407F1E Unknown Unknown Unknown > libc.so.6 00000034F221ED1D Unknown Unknown Unknown > pw.x 0000000000407E29 Unknown Unknown Unknown > --------------------------- > > > 'pw_uspp/uspp-hyb-g.in' fails with the error message: > --------------------------- > forrtl: severe (408): fort: (2): Subscript #1 of the array DSPHER has > value 1 which is greater than the upper bound of 0 > > Image PC Routine Line > Source > pw.x 00000000016F0EF0 Unknown Unknown Unknown > pw.x 0000000000517B8C realus_mp_real_sp 602 > realus.f90 > pw.x 000000000050D056 realus_mp_addusfo 1284 > realus.f90 > pw.x 0000000000AFB1F6 force_us_.L 113 > force_us.f90 > pw.x 00000000006A3415 forces_ 90 > forces.f90 > pw.x 00000000004081B8 run_pwscf_ 129 > run_pwscf.f90 > pw.x 0000000000407FBD MAIN__ 30 > pwscf.f90 > pw.x 0000000000407F1E Unknown Unknown Unknown > libc.so.6 00000034F221ED1D Unknown Unknown Unknown > pw.x 0000000000407E29 Unknown Unknown Unknown > --------------------------- > > > 'pw_vdw/vdw-ts.in' fails with the error message: > --------------------------- > forrtl: severe (408): fort: (2): Subscript #1 of the array UTSVDW has > value 5201 which is greater than the upper bound of 5200 > > Image PC Routine Line > Source > pw.x 00000000016F0EF0 Unknown Unknown Unknown > pw.x 0000000000470436 v_of_rho_ 92 > v_of_rho.f90 > pw.x 000000000080AE0B potinit_ 227 > potinit.f90 > pw.x 00000000006D98F8 init_run_ 99 > init_run.f90 > pw.x 0000000000408111 run_pwscf_ 78 > run_pwscf.f90 > pw.x 0000000000407FBD MAIN__ 30 > pwscf.f90 > pw.x 0000000000407F1E Unknown Unknown Unknown > libc.so.6 00000034F221ED1D Unknown Unknown Unknown > pw.x 0000000000407E29 Unknown Unknown Unknown > --------------------------- > > > > All messages are similar so they may have a common cause, but I'm unable > to tell why exactly. Any ideas? > > > TIA, > Fabricio > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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