Hello,
This is from gdb:
[Thread debugging using libthread_db enabled]
warning: File "/gpfs/fs1/sfw/gcc/5.3.0/lib64/libstdc++.so.6.0.21-gdb.py"
auto-loading has been declined by your `auto-load safe-path' set to
"/usr/share/gdb/auto-load:/usr/
lib/debug:/usr/bin/mono-gdb.py".
To enable execution of this file add
add-auto-load-safe-path
/gpfs/fs1/sfw/gcc/5.3.0/lib64/libstdc++.so.6.0.21-gdb.py
line to your configuration file "/home/mchakra2/.gdbinit".
To completely disable this security protection add
set auto-load safe-path /
line to your configuration file "/home/mchakra2/.gdbinit".
For more information about this security protection see the
"Auto-loading safe path" section in the GDB manual. E.g., run from the
shell:
info "(gdb)Auto-loading safe path"
Reading file topol.tpr, VERSION 5.1.3 (single precision)
I have 6000 beads in 1000 molecules
I have 2000 beads in 1000 molecules for the coarsegraining
trn version: GMX_trn_file (single precision)
Reading frame 0 time 0.000
Reading frame 20 time 20.000 Number of spline functions for the
interaction A-A:35
Number of spline functions for the interaction B-B:35
Number of spline functions for the interaction A-B:35
You are using VOTCA!
hey, somebody wants to forcematch!
Using simple Least Squares!
Program received signal SIGSEGV, Segmentation fault.
0x00002aaaaef1da6a in LAPACKE_dge_nancheck () from
/software/intel/2016.0515/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64/libmkl_intel_lp64.so
Missing separate debuginfos, use: debuginfo-install
expat-2.0.1-11.el6_2.x86_64 glibc-2.12-1.166.el6_7.7.x86_64
sqlite-3.6.20-1.el6.x86_64 zlib-1.2.3-29.el6.x86_64
(gdb) bt
#0 0x00002aaaaef1da6a in LAPACKE_dge_nancheck () from
/software/intel/2016.0515/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64/libmkl_intel_lp64.so
#1 0x00002aaaaef22cb2 in LAPACKE_dgels () from
/software/intel/2016.0515/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64/libmkl_intel_lp64.so
#2 0x00002aaaaadaf5fc in
votca::tools::linalg_qrsolve(boost::numeric::ublas::vector<double,
boost::numeric::ublas::unbounded_array<double, std::allocator<double> > >&,
boo
st::numeric::ublas::matrix<double,
boost::numeric::ublas::basic_row_major<unsigned long, long>,
boost::numeric::ublas::unbounded_array<double, std::allocator<double> > >&,
boost::numeric::ublas::vector<double,
boost::numeric::ublas::unbounded_array<double, std::allocator<double> > >&,
boost::numeric::ublas::vector<double, boost::numeric::ubla
s::unbounded_array<double, std::allocator<double> > >*) () from
/software/votca/b2/lib/libvotca_tools.so.5
#3 0x000000000040bcd6 in CGForceMatching::FmatchAccumulateData() ()
#4 0x000000000040d0ef in
CGForceMatching::EvalConfiguration(votca::csg::Topology*,
votca::csg::Topology*) ()
#5 0x00002aaaaaaec044 in
votca::csg::CsgApplication::ProcessData(votca::csg::CsgApplication::Worker*)
() from /software/votca/b2/lib/libvotca_csg.so.5
#6 0x00002aaaaaaec06a in votca::csg::CsgApplication::Worker::Run() () from
/software/votca/b2/lib/libvotca_csg.so.5
#7 0x00002aaaaaaedd8c in votca::csg::CsgApplication::Run() () from
/software/votca/b2/lib/libvotca_csg.so.5
#8 0x00002aaaaad7f05b in votca::tools::Application::Exec(int, char**) ()
from /software/votca/b2/lib/libvotca_tools.so.5
#9 0x000000000041a1d3 in main ()
(gdb) quit
Thanks.
~M. Chakraborty
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