Dalton aborts w/ segfault for ANY calculations

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caiji
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Dalton aborts w/ segfault for ANY calculations

Post by caiji » 27 Feb 2020, 19:33

Dear friends,

I am completely new to dalton and just got it compiled. The compilation ended with

f951: Warning: unrecognized command line option ‘-Wno-argument-mismatch’
f951: Warning: unrecognized command line option ‘-Wno-argument-mismatch’
[ 99%] Building Fortran object CMakeFiles/dalton.dir/DALTON/fde/emb_main.F90.o
[ 99%] Building Fortran object CMakeFiles/dalton.dir/DALTON/main/dalgnr.F.o
[ 99%] Building Fortran object CMakeFiles/dalton.dir/DALTON/abacus/her1drv.F.o
/home/hzye2011/opt_local/dalton/DALTON/abacus/her1drv.F:284:44:

& WORK(KCOORC),WORK(KSIGNC),WORK(KNCENT),WORK(KJSYMC),
1
Warning: Type mismatch in argument ‘ncentc’ at (1); passed REAL(8) to INTEGER(4)
f951: Warning: unrecognized command line option ‘-Wno-argument-mismatch’
[ 99%] Building Fortran object CMakeFiles/dalton.dir/DALTON/mlcc/mlcc3_drv.F90.o
f951: Warning: unrecognized command line option ‘-Wno-argument-mismatch’
[ 99%] Linking Fortran static library lib/libdalton.a
[ 99%] Built target dalton
Scanning dependencies of target dalton.x
[100%] Building Fortran object CMakeFiles/dalton.x.dir/DALTON/main/dalton.F.o
[100%] Linking Fortran executable dalton.x
[100%] Built target dalton.x


which, I believe, means it is correctly compiled.

However, then I tried running some tests using `make test` or `ctest` and all jobs failed. I cd-ed into some of the test directories and tried running them manually using

PATH_TO_DALTON/build/dalton [name].dal [name].mol

All calculations failed after the following output (this specific one came from test `energy_nosymm`):

*******************************************
**** OUTPUT FROM DALTON SHELL SCRIPT
*******************************************

DALTON release Dalton2020.alpha (2020)

Invocation: ../dalton energy_nosymm.dal energy_nosymm.mol

Thu Feb 27 13:28:29 EST 2020

Calculation: energy_nosymm (input files: energy_nosymm.dal and energy_nosymm.mol)
PID : 14964
Input dir : /home/hzye2011/opt_local/dalton/build/test_energy_nosymm
Scratch dir: /scratch/hzye2011/DALTON_scratch_hzye2011/energy_nosymm_14964


DALTON: default work memory size used. 64000000

Work memory size (LMWORK+2): 64000002 = 488.28 megabytes; node 0

0: Directories for basis set searches:
/home/hzye2011/opt_local/dalton/build/test_energy_nosymm:/home/hzye2011/opt_local/dalton/build/basis

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:
#0 0x7FF4872C4407
#1 0x7FF4872C4A0E
#2 0x7FF486C0D4AF
#3 0x7FF48737C620
#4 0x7FF48737CCD3
#5 0x1189B11 in gpclose_
#6 0x4084BA in MAIN__ at dalton.F:?
../dalton: line 540: 14993 Segmentation fault (core dumped) $DALTON_EXE

SERIOUS ERROR:
/home/hzye2011/opt_local/dalton/build/dalton.x finished with non-zero exit code: 139

File list in scratch directory:

total 20
-rw-rw-r-- 1 hzye2011 hzye2011 0 Feb 27 13:28 DALTON.CM
-rw-rw-r-- 1 hzye2011 hzye2011 8352 Feb 27 13:28 DALTON.OUT
-rw-rw-r-- 1 hzye2011 hzye2011 0 Feb 27 13:28 DALTON.PROP
-rw-rw-r-- 1 hzye2011 hzye2011 0 Feb 27 13:28 DALTON.STAT
-rw-rw-r-- 1 hzye2011 hzye2011 0 Feb 27 13:28 midasifc.prop
-rw-rw-r-- 1 hzye2011 hzye2011 242 Feb 27 13:28 MOLECULE.INP
-rw-rw-r-- 1 hzye2011 hzye2011 201 Feb 27 13:28 DALTON.INP
24K .
tar: Cowardly refusing to create an empty archive
Try 'tar --help' or 'tar --usage' for more information.
Backup: renaming /home/hzye2011/opt_local/dalton/build/test_energy_nosymm/energy_nosymm.tar.gz.1 to /home/hzye2011/opt_local/dalton/build/test_energy_nosymm/energy_nosymm.tar.gz.2
Backup: renaming /home/hzye2011/opt_local/dalton/build/test_energy_nosymm/energy_nosymm.tar.gz.0 to /home/hzye2011/opt_local/dalton/build/test_energy_nosymm/energy_nosymm.tar.gz.1
Backup: renaming /home/hzye2011/opt_local/dalton/build/test_energy_nosymm/energy_nosymm.tar.gz to /home/hzye2011/opt_local/dalton/build/test_energy_nosymm/energy_nosymm.tar.gz.0
energy_nosymm.tar.gz has been copied to /home/hzye2011/opt_local/dalton/build/test_energy_nosymm
Backup: renaming /home/hzye2011/opt_local/dalton/build/test_energy_nosymm/energy_nosymm.out.0 to /home/hzye2011/opt_local/dalton/build/test_energy_nosymm/energy_nosymm.out.1
Backup: renaming /home/hzye2011/opt_local/dalton/build/test_energy_nosymm/energy_nosymm.out to /home/hzye2011/opt_local/dalton/build/test_energy_nosymm/energy_nosymm.out.0
----------------------------------------------------------
WARNING for ERROR (DALTON program stopped with exit code 139)
- THEREFORE scratch directory /scratch/hzye2011/DALTON_scratch_hzye2011/energy_nosymm_14964 is not deleted
by this script so you may restart the calculation, if possible
( /scratch/hzye2011/DALTON_scratch_hzye2011/energy_nosymm_14964 may be deleted by your queueing system )
- REMEMBER to delete /scratch/hzye2011/DALTON_scratch_hzye2011/energy_nosymm_14964 yourself !!!


Thu Feb 27 13:28:29 EST 2020
*****************************************


I searched the forum and found a few other reports of seg fault, but none of them seems like my case. I don't think this is due to not enough memory as these tests seem to be small in size.

Has anyone encountered this before? Any suggestion / guidance would be helpful!!!

Thanks in advance!

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magnus
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Re: Dalton aborts w/ segfault for ANY calculations

Post by magnus » 27 Feb 2020, 20:04

Can you provide some details about your compilation, e.g. the output from the setup step?

caiji
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Country: United States

Re: Dalton aborts w/ segfault for ANY calculations

Post by caiji » 27 Feb 2020, 22:48

Thanks for your response! The output of command ./setup is:

Configuring system: Ubuntu
FC=gfortran CC=gcc CXX=g++ cmake -DENABLE_MPI=OFF -DENABLE_SGI_MPT=OFF -DENABLE_64BIT_INTEGERS=OFF -DENABLE_STATIC_LINKING=OFF -DCMAKE_BUILD_TYPE=release /home/hzye2011/opt_local/dalton

-- BLAS will be searched for based on MKLROOT=/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl
-- LAPACK will be searched for based on MKLROOT=/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl
-- GIT_BRANCH : master
-- System : Linux
-- Processor type : x86_64
-- Fortran compiler flags: -ffloat-store -fcray-pointer -std=legacy -m64 -O3 -ffast-math -funroll-loops -ftree-vectorize -Wno-argument-mismatch -Wno-unused-variable -Wno-unused-dummy-argument -Wno-maybe-uninitialized
-- C compiler flags : -std=c99 -DRESTRICT=restrict -DFUNDERSCORE=1 -DHAVE_NO_LSEEK64 -ffloat-store -Wall -m64 -O3 -ffast-math -funroll-loops -ftree-vectorize -Wno-unused
-- Libraries : /home/hzye2011/opt_local/dalton/build/external/lib/libqfitlib.a;/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64/libmkl_gf_lp64.so;/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64/libmkl_sequential.so;/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64/libmkl_core.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libm.so;/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64/libmkl_lapack95_lp64.a;/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64/libmkl_gf_lp64.so;/home/hzye2011/opt_local/dalton/build/external/lib/libpelib.a
-- Definitions : SYS_LINUX;SYS_UNIX;VAR_GFORTRAN;HAVE_MKL_BLAS;HAVE_MKL_LAPACK;BUILD_GEN1INT;BUILD_QFITLIB;VAR_MFDS;_FILE_OFFSET_BITS=64;IMPLICIT_NONE;BINARY_INFO_AVAILABLE;INSTALL_BASDIR="/home/hzye2011/opt_local/dalton/build/basis";VAR_MKL;INSTALL_WRKMEM=64000000;INSTALL_MMWORK=1;BUILD_PELIB;BUILD_QFITLIB
-- The Fortran compiler identification is GNU 5.4.0
-- The C compiler identification is GNU 5.4.0
-- The CXX compiler identification is GNU 5.4.0
-- Check for working Fortran compiler: /usr/bin/gfortran
-- Check for working Fortran compiler: /usr/bin/gfortran -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /usr/bin/gfortran supports Fortran 90
-- Checking whether /usr/bin/gfortran supports Fortran 90 -- yes
-- Check for working C compiler: /usr/bin/gcc
-- Check for working C compiler: /usr/bin/gcc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /usr/bin/g++
-- Check for working CXX compiler: /usr/bin/g++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Math lib search order is MKL;ESSL;OPENBLAS;ATLAS;ACML;SYSTEM_NATIVE
-- You can select a specific type by defining for instance -D BLAS_TYPE=ATLAS or -D LAPACK_TYPE=ACML
-- or by redefining MATH_LIB_SEARCH_ORDER
-- Found BLAS: MKL (/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64/libmkl_gf_lp64.so;/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64/libmkl_sequential.so;/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64/libmkl_core.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libm.so)
-- Found LAPACK: MKL (/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64/libmkl_lapack95_lp64.a;/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64/libmkl_gf_lp64.so)
-- Found Git: /usr/bin/git
-- Polarizable Continuum Model via PCMSolver DISABLED
-- Configuring done
-- Generating done
-- Build files have been written to: /home/hzye2011/opt_local/dalton/build

configure step is done
now you need to compile the sources:
$ cd build
$ make

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magnus
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Country: Norway

Re: Dalton aborts w/ segfault for ANY calculations

Post by magnus » 27 Feb 2020, 23:00

Thanks. This looks ok.

Sorry, I only now noticed that you're using the development version. Can you try to check out a released version to see if you still have problems? You can do this by following these steps (from the root of the Dalton distribution):

Code: Select all

git checkout Dalton2018.2
git submodule update
Then run setup again and compile.

caiji
Posts: 4
Joined: 27 Feb 2020, 17:21
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Affiliation: Harvard University
Country: United States

Re: Dalton aborts w/ segfault for ANY calculations

Post by caiji » 28 Feb 2020, 14:30

magnus wrote:
27 Feb 2020, 23:00
Thanks. This looks ok.

Sorry, I only now noticed that you're using the development version. Can you try to check out a released version to see if you still have problems? You can do this by following these steps (from the root of the Dalton distribution):

Code: Select all

git checkout Dalton2018.2
git submodule update
Then run setup again and compile.
Hi magnus,

I `rm -rf` previous dalton directory, `git clone` it again, and used the two commands you gave me.
The first one outputs

Code: Select all

M	external/pelib
M	external/qfitlib
Note: checking out 'Dalton2018.2'.

You are in 'detached HEAD' state. You can look around, make experimental
changes and commit them, and you can discard any commits you make in this
state without impacting any branches by performing another checkout.

If you want to create a new branch to retain commits you create, you may
do so (now or later) by using -b with the checkout command again. Example:

  git checkout -b <new-branch-name>

HEAD is now at 4aa945e... Merge branch 'fix-issue-89' into 'release/2018'
and the second one

Code: Select all

M	external/pelib
M	external/qfitlib
HEAD is now at 4aa945e... Merge branch 'fix-issue-89' into 'release/2018'
I think this is again normal, right?

I re-compiled dalton and the compilation proceeded normally. But when I ran test, I still got the same segfault error.

Code: Select all

   ******************************************* 
   **** OUTPUT FROM DALTON SHELL SCRIPT
   ******************************************* 

   DALTON release Dalton2018.2 (2019)

   Invocation: ../../dalton energy_symm.dal H2O_cc-pVDZ.mol

   Fri Feb 28 08:24:06 EST 2020

   Calculation: energy_symm_H2O_cc-pVDZ  (input files: energy_symm.dal and H2O_cc-pVDZ.mol)
   PID        : 9270
   Input dir  : /home/hzye2011/opt_local/dalton/build/test/energy_symm
   Scratch dir: /scratch/hzye2011/DALTON_scratch_hzye2011/energy_symm_H2O_cc-pVDZ_9270


 DALTON: default work memory size used.            64000000

 Work memory size (LMWORK+2):    64000002 =  488.28 megabytes; node   0

   0: Directories for basis set searches:
     /home/hzye2011/opt_local/dalton/build/test/energy_symm:/home/hzye2011/opt_local/dalton/build/basis

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:
#0  0x7FB0CA652407
#1  0x7FB0CA652A0E
#2  0x7FB0C9F9B4AF
#3  0x7FB0CA70A620
#4  0x7FB0CA70ACD3
#5  0x1144921 in gpclose_
#6  0x40838B in MAIN__ at dalton.F:?
../../dalton: line 549:  9294 Segmentation fault      (core dumped) $DALTON_EXE

SERIOUS ERROR:
/home/hzye2011/opt_local/dalton/build/dalton.x finished with non-zero exit code: 139

File list in scratch directory:

total 20
-rw-rw-r-- 1 hzye2011 hzye2011    0 Feb 28 08:24 DALTON.CM
-rw-rw-r-- 1 hzye2011 hzye2011 8344 Feb 28 08:24 DALTON.OUT
-rw-rw-r-- 1 hzye2011 hzye2011    0 Feb 28 08:24 DALTON.PROP
-rw-rw-r-- 1 hzye2011 hzye2011    0 Feb 28 08:24 DALTON.STAT
-rw-rw-r-- 1 hzye2011 hzye2011    0 Feb 28 08:24 midasifc.prop
-rw-rw-r-- 1 hzye2011 hzye2011  330 Feb 28 08:24 DALTON.INP
-rw-rw-r-- 1 hzye2011 hzye2011  255 Feb 28 08:24 MOLECULE.INP
24K	.
tar: Cowardly refusing to create an empty archive
Try 'tar --help' or 'tar --usage' for more information.
energy_symm_H2O_cc-pVDZ.tar.gz has been copied to /home/hzye2011/opt_local/dalton/build/test/energy_symm
Backup: renaming /home/hzye2011/opt_local/dalton/build/test/energy_symm/energy_symm_H2O_cc-pVDZ.out to /home/hzye2011/opt_local/dalton/build/test/energy_symm/energy_symm_H2O_cc-pVDZ.out.0
----------------------------------------------------------
WARNING for ERROR  (DALTON program stopped with exit code 139)
- THEREFORE scratch directory /scratch/hzye2011/DALTON_scratch_hzye2011/energy_symm_H2O_cc-pVDZ_9270 is not deleted
  by this script so you may restart the calculation, if possible
  ( /scratch/hzye2011/DALTON_scratch_hzye2011/energy_symm_H2O_cc-pVDZ_9270 may be deleted by your queueing system )
- REMEMBER to delete /scratch/hzye2011/DALTON_scratch_hzye2011/energy_symm_H2O_cc-pVDZ_9270 yourself !!!


   Fri Feb 28 08:24:07 EST 2020
   ***************************************** 

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magnus
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Country: Norway

Re: Dalton aborts w/ segfault for ANY calculations

Post by magnus » 28 Feb 2020, 15:11

Yes, that is normal.

Can you either attach the DALTON.OUT file from the scratch directory, or run the calculation again as follows:

Code: Select all

/path/to/dalton/build/dalton -dal energy_symm.dal -mol H2O_cc-pVDZ.mol -o test.out
and attach the test.out file. The "-o [filename]" option redirects the output from Dalton to the specified file.

caiji
Posts: 4
Joined: 27 Feb 2020, 17:21
First name(s): Cai
Last name(s): Ji
Affiliation: Harvard University
Country: United States

Re: Dalton aborts w/ segfault for ANY calculations

Post by caiji » 28 Feb 2020, 16:08

No problem. In the `test.out` file, the program seems to stop immediately after printing out all authors' names

Code: Select all

     ************************************************************************
     *************** Dalton - An Electronic Structure Program ***************
     ************************************************************************

    This is output from DALTON release Dalton2018.2 (2019)
         ( Web site: http://daltonprogram.org )

   ----------------------------------------------------------------------------

    NOTE:
     
    Dalton is an experimental code for the evaluation of molecular
    properties using (MC)SCF, DFT, CI, and CC wave functions.
    The authors accept no responsibility for the performance of
    the code or for the correctness of the results.
     
    The code (in whole or part) is provided under a licence and
    is not to be reproduced for further distribution without
    the written permission of the authors or their representatives.
     
    See the home page "http://daltonprogram.org" for further information.
     
    If results obtained with this code are published,
    the appropriate citations would be both of:
     
       K. Aidas, C. Angeli, K. L. Bak, V. Bakken, R. Bast,
       L. Boman, O. Christiansen, R. Cimiraglia, S. Coriani,
       P. Dahle, E. K. Dalskov, U. Ekstroem,
       T. Enevoldsen, J. J. Eriksen, P. Ettenhuber, B. Fernandez,
       L. Ferrighi, H. Fliegl, L. Frediani, K. Hald, A. Halkier,
       C. Haettig, H. Heiberg, T. Helgaker, A. C. Hennum,
       H. Hettema, E. Hjertenaes, S. Hoest, I.-M. Hoeyvik,
       M. F. Iozzi, B. Jansik, H. J. Aa. Jensen, D. Jonsson,
       P. Joergensen, J. Kauczor, S. Kirpekar,
       T. Kjaergaard, W. Klopper, S. Knecht, R. Kobayashi, H. Koch,
       J. Kongsted, A. Krapp, K. Kristensen, A. Ligabue,
       O. B. Lutnaes, J. I. Melo, K. V. Mikkelsen, R. H. Myhre,
       C. Neiss, C. B. Nielsen, P. Norman, J. Olsen,
       J. M. H. Olsen, A. Osted, M. J. Packer, F. Pawlowski,
       T. B. Pedersen, P. F. Provasi, S. Reine, Z. Rinkevicius,
       T. A. Ruden, K. Ruud, V. Rybkin, P. Salek, C. C. M. Samson,
       A. Sanchez de Meras, T. Saue, S. P. A. Sauer,
       B. Schimmelpfennig, K. Sneskov, A. H. Steindal,
       K. O. Sylvester-Hvid, P. R. Taylor, A. M. Teale,
       E. I. Tellgren, D. P. Tew, A. J. Thorvaldsen, L. Thoegersen,
       O. Vahtras, M. A. Watson, D. J. D. Wilson, M. Ziolkowski
       and H. Agren,
       "The Dalton quantum chemistry program system",
       WIREs Comput. Mol. Sci. 2014, 4:269–284 (doi: 10.1002/wcms.1172)
     
    and
     
       Dalton, a molecular electronic structure program,
       Release Dalton2018.2 (2019), see http://daltonprogram.org
   ----------------------------------------------------------------------------

    Authors in alphabetical order (major contribution(s) in parenthesis):

  Kestutis Aidas,           Vilnius University,           Lithuania   (QM/MM)
  Celestino Angeli,         University of Ferrara,        Italy       (NEVPT2)
  Keld L. Bak,              UNI-C,                        Denmark     (AOSOPPA, non-adiabatic coupling, magnetic properties)
  Vebjoern Bakken,          University of Oslo,           Norway      (DALTON; geometry optimizer, symmetry detection)
  Radovan Bast,             UiT The Arctic U. of Norway,  Norway      (DALTON installation and execution frameworks)
  Pablo Baudin,             University of Valencia,       Spain       (Cholesky excitation energies)
  Linus Boman,              NTNU,                         Norway      (Cholesky decomposition and subsystems)
  Ove Christiansen,         Aarhus University,            Denmark     (CC module)
  Renzo Cimiraglia,         University of Ferrara,        Italy       (NEVPT2)
  Sonia Coriani,            Technical Univ. of Denmark,   Denmark     (CC module, MCD in RESPONS)
  Janusz Cukras,            University of Trieste,        Italy       (MChD in RESPONS)
  Paal Dahle,               University of Oslo,           Norway      (Parallelization)
  Erik K. Dalskov,          UNI-C,                        Denmark     (SOPPA)
  Thomas Enevoldsen,        Univ. of Southern Denmark,    Denmark     (SOPPA)
  Janus J. Eriksen,         Aarhus University,            Denmark     (Polarizable embedding model, TDA)
  Rasmus Faber,             University of Copenhagen,     Denmark     (Vib.avg. NMR with SOPPA, parallel AO-SOPPA)
  Tobias Fahleson,          KTH Stockholm,                Sweden      (Damped cubic response)
  Berta Fernandez,          U. of Santiago de Compostela, Spain       (doublet spin, ESR in RESPONS)
  Lara Ferrighi,            Aarhus University,            Denmark     (PCM Cubic response)
  Heike Fliegl,             University of Oslo,           Norway      (CCSD(R12))
  Luca Frediani,            UiT The Arctic U. of Norway,  Norway      (PCM)
  Bin Gao,                  UiT The Arctic U. of Norway,  Norway      (Gen1Int library)
  Christof Haettig,         Ruhr-University Bochum,       Germany     (CC module)
  Kasper Hald,              Aarhus University,            Denmark     (CC module)
  Asger Halkier,            Aarhus University,            Denmark     (CC module)
  Frederik Beyer Hansen,    University of Copenhagen,     Denmark     (Parallel AO-SOPPA)
  Erik D. Hedegaard,        Univ. of Southern Denmark,    Denmark     (Polarizable embedding model, QM/MM)
  Hanne Heiberg,            University of Oslo,           Norway      (geometry analysis, selected one-electron integrals)
  Trygve Helgaker,          University of Oslo,           Norway      (DALTON; ABACUS, ERI, DFT modules, London, and much more)
  Alf Christian Hennum,     University of Oslo,           Norway      (Parity violation)
  Hinne Hettema,            University of Auckland,       New Zealand (quadratic response in RESPONS; SIRIUS supersymmetry)
  Eirik Hjertenaes,         NTNU,                         Norway      (Cholesky decomposition)
  Pi A. B. Haase,           University of Copenhagen,     Denmark     (Triplet AO-SOPPA)
  Maria Francesca Iozzi,    University of Oslo,           Norway      (RPA)
  Christoph Jacob           TU Braunschweig               Germany     (Frozen density embedding model)
  Brano Jansik              Technical Univ. of Ostrava    Czech Rep.  (DFT cubic response)
  Hans Joergen Aa. Jensen,  Univ. of Southern Denmark,    Denmark     (DALTON; SIRIUS, RESPONS, ABACUS modules, London, and much more)
  Dan Jonsson,              UiT The Arctic U. of Norway,  Norway      (cubic response in RESPONS module)
  Poul Joergensen,          Aarhus University,            Denmark     (RESPONS, ABACUS, and CC modules)
  Maciej Kaminski,          University of Warsaw,         Poland      (CPPh in RESPONS)
  Joanna Kauczor,           Linkoeping University,        Sweden      (Complex polarization propagator (CPP) module)
  Sheela Kirpekar,          Univ. of Southern Denmark,    Denmark     (Mass-velocity & Darwin integrals)
  Wim Klopper,              KIT Karlsruhe,                Germany     (R12 code in CC, SIRIUS, and ABACUS modules)
  Stefan Knecht,            ETH Zurich,                   Switzerland (Parallel CI and MCSCF)
  Rika Kobayashi,           Australian National Univ.,    Australia   (DIIS in CC, London in MCSCF)
  Henrik Koch,              NTNU,                         Norway      (CC module, Cholesky decomposition)
  Jacob Kongsted,           Univ. of Southern Denmark,    Denmark     (Polarizable embedding model, QM/MM)
  Andrea Ligabue,           University of Modena,         Italy       (CTOCD, AOSOPPA)
  Nanna H. List             Univ. of Southern Denmark,    Denmark     (Polarizable embedding model)
  Ola B. Lutnaes,           University of Oslo,           Norway      (DFT Hessian)
  Juan I. Melo,             University of Buenos Aires,   Argentina   (LRESC, Relativistic Effects on NMR Shieldings)
  Kurt V. Mikkelsen,        University of Copenhagen,     Denmark     (MC-SCRF and QM/MM)
  Rolf H. Myhre,            NTNU,                         Norway      (Subsystems and CC3)
  Christian Neiss,          Univ. Erlangen-Nuernberg,     Germany     (CCSD(R12))
  Christian B. Nielsen,     University of Copenhagen,     Denmark     (QM/MM)
  Patrick Norman,           KTH Stockholm,                Sweden      (Cubic response and complex frequency response in RESPONS)
  Jeppe Olsen,              Aarhus University,            Denmark     (SIRIUS CI/density modules)
This is all I have in `test.out`.

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magnus
Posts: 514
Joined: 27 Jun 2013, 16:32
First name(s): Jógvan Magnus
Middle name(s): Haugaard
Last name(s): Olsen
Affiliation: Hylleraas Centre, UiT The Arctic University of Norway
Country: Norway

Re: Dalton aborts w/ segfault for ANY calculations

Post by magnus » 03 Mar 2020, 16:10

I'm very sorry! I didn't notice until now that you had replied :oops:

This segfault is really puzzling. It seems that it doesn't even complete the printing of author names. This is on Ubuntu, right? Which version is it? The only next step I can think of is to try again in debug mode to see if that tells us more about where it segfaults. To activate debug mode you need to setup again, adding "--type=debug" and then run the calculation again.

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