I'm trying to restart my BSE calculation using slepc solver with a different BSSEnTarget since my first guess is too high. However, I always fail with the log file stoped at "BSK resp. funct" :
Code: Select all
<---> P1: [01] MPI/OPENMP structure, Files & I/O Directories
<---> P1-r103u03: MPI Cores-Threads : 72(CPU)-1(threads)
<---> P1-r103u03: MPI Cores-Threads : BS(environment)-2 1 36(CPUs)-k eh t(ROLEs)
<---> P1-r103u03: [02] CORE Variables Setup
<---> P1-r103u03: [02.01] Unit cells
<---> P1-r103u03: [02.02] Symmetries
<---> P1-r103u03: [02.03] Reciprocal space
<---> P1-r103u03: [02.04] K-grid lattice
<---> P1-r103u03: Grid dimensions : 36 36 3
<---> P1-r103u03: [02.05] Energies & Occupations
<---> P1-r103u03: [03] Transferred momenta grid and indexing
<---> P1-r103u03: [04] Dipoles
<---> P1-r103u03: [DIP] Checking dipoles header
<---> P1-r103u03: [WARNING] [r,Vnl^pseudo] included in position and velocity dipoles.
<---> P1-r103u03: [WARNING] In case H contains other non local terms, these are neglected
<---> P1-r103u03: [05] Bethe Salpeter Equation @q1
<02s> P1-r103u03: [PARALLEL Response_T_space for K(ibz) on 2 CPU] Loaded/Total (Percentual):127/254(50%)
<02s> P1-r103u03: [PARALLEL Response_T_space for (e/h) Groups on 1 CPU] Loaded/Total (Percentual):127/254(50%)
<02s> P1-r103u03: [PARALLEL Response_T_space for (e/h)->(e/h)' Transitions (ordered) on 36 CPU] Loaded/Total (Percentual):451/32385(1%)
<02s> P1-r103u03: [PARALLEL Response_T_space for CON bands on 1 CPU] Loaded/Total (Percentual):2/2(100%)
<02s> P1-r103u03: [PARALLEL Response_T_space for VAL bands on 36 CPU] Loaded/Total (Percentual):1/2(50%)
<02s> P1-r103u03: [05.01] Transition Groups build-up @q1
<02s> P1-r103u03: [MEMORY] Parallel distribution of BS_MAT on HOST r103u03 with size 245.6667 [Mb]
<02s> P1-r103u03: [BSK] Size (resonant): 15552
<02s> P1-r103u03: [BSK] (total): 15552
<02s> P1-r103u03: [BSK] Matricies : 1
<02s> P1-r103u03: [PARALLEL Response_T_space for Kernel matrix elements] Loaded/Total(Percentual): 0.154906E+7/ 0.120940E+9 (1%)
<02s> P1-r103u03: [05.02] Independent Particles properties @q1
<02s> P1-r103u03: [DIP] Checking dipoles header
<02s> P1-r103u03: [05.03] BSE Kernel @q1 (Resonant CORRRELATION EXCHANGE)
<02s> P1-r103u03: Complete BSE file found in ./BSE//ndb.BS_PAR_Q1. Loading kernel.
<02s> P1-r103u03: Loading BSE kernel | | [000%] --(E) --(X)
<08s> P1-r103u03: Loading BSE kernel |# | [002%] 05s(E) 03m-38s(X)
<11s> P1-r103u03: Loading BSE kernel |########################################| [100%] 08s(E) 08s(X)
<11s> P1-r103u03: [06] BSE solver(s) @q1
<11s> P1-r103u03: [06.01] Slepc Solver @q1
<11s> P1-r103u03: [SLEPC] Slower alogorithm but BSE matrix distributed over MPI tasks
<11s> P1-r103u03: BSK resp. funct | | [000%] --(E) --(X)
Code: Select all
[61]PETSC ERROR: ------------------------------------------------------------------------
[30]PETSC ERROR: ------------------------------------------------------------------------
[68]PETSC ERROR: ------------------------------------------------------------------------
[68]PETSC ERROR: Caught signal number 11 SEGV: Segmentation Violation, probably memory access out of range
[68]PETSC ERROR: Try option -start_in_debugger or -on_error_attach_debugger
[57]PETSC ERROR: ------------------------------------------------------------------------
[57]PETSC ERROR: Caught signal number 11 SEGV: Segmentation Violation, probably memory access out of range
[57]PETSC ERROR: Try option -start_in_debugger or -on_error_attach_debugger
[57]PETSC ERROR: or see https://www.mcs.anl.gov/petsc/documentation/faq.html#valgrind
[57]PETSC ERROR: or try http://valgrind.org on GNU/linux and Apple Mac OS X to find memory corruption errors
[57]PETSC ERROR: likely location of problem given in stack below
[57]PETSC ERROR: --------------------- Stack Frames ------------------------------------
[59]PETSC ERROR: ------------------------------------------------------------------------
[59]PETSC ERROR: Caught signal number 11 SEGV: Segmentation Violation, probably memory access out of range
[59]PETSC ERROR: Try option -start_in_debugger or -on_error_attach_debugger
[59]PETSC ERROR: or see https://www.mcs.anl.gov/petsc/documentation/faq.html#valgrind
[60]PETSC ERROR: ------------------------------------------------------------------------
[60]PETSC ERROR: Caught signal number 11 SEGV: Segmentation Violation, probably memory access out of range
[60]PETSC ERROR: Try option -start_in_debugger or -on_error_attach_debugger
[60]PETSC ERROR: or see https://www.mcs.anl.gov/petsc/documentation/faq.html#valgrind
[60]PETSC ERROR: or try http://valgrind.org on GNU/linux and Apple Mac OS X to find memory corruption errors
[60]PETSC ERROR: likely location of problem given in stack below
[65]PETSC ERROR: ------------------------------------------------------------------------
[65]PETSC ERROR: Caught signal number 11 SEGV: Segmentation Violation, probably memory access out of range
[65]PETSC ERROR: Try option -start_in_debugger or -on_error_attach_debugger
[65]PETSC ERROR: or see https://www.mcs.anl.gov/petsc/documentation/faq.html#valgrind
[65]PETSC ERROR: or try http://valgrind.org on GNU/linux and Apple Mac OS X to find memory corruption errors
[65]PETSC ERROR: likely location of problem given in stack below
[65]PETSC ERROR: --------------------- Stack Frames ------------------------------------
[65]PETSC ERROR: Note: The EXACT line numbers in the stack are not available,
[65]PETSC ERROR: INSTEAD the line number of the start of the function
[65]PETSC ERROR: is given.
[65]PETSC ERROR: --------------------- Error Message --------------------------------------------------------------
[29]PETSC ERROR: ------------------------------------------------------------------------
[29]PETSC ERROR: Caught signal number 11 SEGV: Segmentation Violation, probably memory access out of range
[29]PETSC ERROR: Try option -start_in_debugger or -on_error_attach_debugger
[29]PETSC ERROR: or see https://www.mcs.anl.gov/petsc/documentation/faq.html#valgrind
[29]PETSC ERROR: or try http://valgrind.org on GNU/linux and Apple Mac OS X to find memory corruption errors
[68]PETSC ERROR: or see https://www.mcs.anl.gov/petsc/documentation/faq.html#valgrind
[68]PETSC ERROR: or try http://valgrind.org on GNU/linux and Apple Mac OS X to find memory corruption errors
[68]PETSC ERROR: likely location of problem given in stack below
[68]PETSC ERROR: --------------------- Stack Frames ------------------------------------
[68]PETSC ERROR: Note: The EXACT line numbers in the stack are not available,
[68]PETSC ERROR: INSTEAD the line number of the start of the function
[68]PETSC ERROR: is given.
[68]PETSC ERROR: --------------------- Error Message --------------------------------------------------------------
[68]PETSC ERROR: Signal received
[68]PETSC ERROR: See https://www.mcs.anl.gov/petsc/documentation/faq.html for trouble shooting.
[68]PETSC ERROR: Petsc Release Version 3.13.4, Aug 01, 2020
[68]PETSC ERROR: Unknown Name on a named r103u05 by wxiaom86 Sun May 23 18:43:16 2021
[2]PETSC ERROR: ------------------------------------------------------------------------
[2]PETSC ERROR: Caught signal number 11 SEGV: Segmentation Violation, probably memory access out of range
[2]PETSC ERROR: Try option -start_in_debugger or -on_error_attach_debugger
[2]PETSC ERROR: or see https://www.mcs.anl.gov/petsc/documentation/faq.html#valgrind
[2]PETSC ERROR: or try http://valgrind.org on GNU/linux and Apple Mac OS X to find memory corruption errors
[2]PETSC ERROR: likely location of problem given in stack below
[2]PETSC ERROR: --------------------- Stack Frames ------------------------------------
[2]PETSC ERROR: Note: The EXACT line numbers in the stack are not available,
[2]PETSC ERROR: INSTEAD the line number of the start of the function
[2]PETSC ERROR: is given.
[2]PETSC ERROR: --------------------- Error Message --------------------------------------------------------------
[2]PETSC ERROR: Signal received
[68]PETSC ERROR: Configure options --prefix=/home/wxiaom86/soft/yambo-5.0.2/lib/external/intel/mpiifort/single --PETSC_ARCH=yambo_single_c
omplex --with-ssl=0 --with-x=0 --with-cxx=0 --with-shared-libraries=0 --with-blaslapack-lib="-L/nopt/nrel/apps/base/2019-01-02/spack/opt/s
pack/linux-centos7-x86_64/intel-18.0.3/intel-mkl-2018.3.222-dzfj7xvn6uy7tqmmgzwfcjkucomyxkui/compilers_and_libraries_2018.3.222/linux/mkl
-lmkl_intel_lp64 -lmkl_sequential -lmkl_core -L/nopt/nrel/apps/base/2019-01-02/spack/opt/spack/linux-centos7-x86_64/intel-18.0.3/intel-m
kl-2018.3.222-dzfj7xvn6uy7tqmmgzwfcjkucomyxkui/compilers_and_libraries_2018.3.222/linux/mkl -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
" --with-scalar-type=complex --with-precision=single --with-cc=mpiicc --with-fc=mpiifort
[68]PETSC ERROR: #1 User provided function() line 0 in unknown file
application called MPI_Abort(MPI_COMM_WORLD, 50162059) - process 68
In: PMI_Abort(50162059, application called MPI_Abort(MPI_COMM_WORLD, 50162059) - process 68)
Best,
Xiaoming
