Package: mpqc
Version: 2.3.1-10
Severity: wishlist
Running mpqc on /usr/share/doc/mpqc/examples/mp2r12ah2o.in results in an
error:
nighthawk/tmp$ mpqc mp2r12ah2o.in
Reading file /usr/share/mpqc/atominfo.kv.
MPQC: Massively Parallel Quantum Chemistry
Version 2.3.1
Machine: i486-pc-linux-gnu
User: mbanck@nighthawk
Start Time: Sun Nov 20 15:24:43 2011
Using ProcMessageGrp for message passing (number of nodes = 1).
Using PthreadThreadGrp for threading (number of threads = 1).
Using ProcMemoryGrp for distributed shared memory.
Total number of processors = 1
ClassDesc::load_class looking for "./classes"
ClassDesc::load_class("IntegralCints"): load failed
Either "IntegralCints" is an invalid class name or the code
for "IntegralCints" was not linked into the executable.
Segmentation fault
This is because libSCcints and (at least) libSCmbptr12 are not shipped
in libsc7.
-- System Information:
Debian Release: 6.0.2
APT prefers stable
APT policy: (500, 'stable')
Architecture: i386 (i686)
Kernel: Linux 2.6.32-5-686 (SMP w/1 CPU core)
Locale: LANG=de_DE.UTF-8, LC_CTYPE=de_DE.UTF-8 (charmap=UTF-8)
Shell: /bin/sh linked to /bin/dash
Versions of packages mpqc depends on:
ii libatlas3gf-base [liblapack.s 3.8.3-27 Automatically Tuned Linear Algebra
ii libblas3gf [libblas.so.3gf] 1.2-8 Basic Linear Algebra Reference imp
ii libc6 2.11.2-10 Embedded GNU C Library: Shared lib
ii libgcc1 1:4.4.5-8 GCC support library
ii libgfortran3 4.4.5-8 Runtime library for GNU Fortran ap
ii liblapack3gf [liblapack.so.3g 3.2.1-8 library of linear algebra routines
ii libsc-data 2.3.1-6 The Scientific Computing Toolkit (
ii libsc7 2.3.1-6 The Scientific Computing Toolkit
ii libstdc++6 4.6.0-2 The GNU Standard C++ Library v3
mpqc recommends no packages.
Versions of packages mpqc suggests:
pn mpqc-support <none> (no description available)
-- no debconf information
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