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GAMESS issue tracking

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GAMESS not correctly calculating ESPs when using a solvent correction in versions higher than 2019-R2

#75 Callum-Macfarlane opened 3 weeks ago
0
rungms script for slurm

#74 HarshaUgaveI opened 2 months ago
1
Missing ddikick.x

#73 samcom12 opened 2 months ago
3
RUNTYP=TRANSITN Problems

#72 stewa668 opened 7 months ago
0
Test Trans_300K_S1_opt failed using the original input

#71 xiongyan21 opened 9 months ago
0
Reks localization failed during reks DFT for pyrazine

#70 xiongyan21 closed 9 months ago
1
Is T1 diagnostic still very useful in open shell CCSD iterations in IP calculations?

#69 xiongyan21 closed 1 year ago
2
Portable binary of GAMESS

#68 aizvorski opened 1 year ago
4
I got a ERROR when I was linking Gamess

#67 mars303 opened 1 year ago
3
Second hyperpolarzaibility for N2 calculated is only half compared with one reference

#66 xiongyan21 closed 1 year ago
0
Something about uracil

#65 xiongyan21 closed 1 year ago
0
Large discrepancie exists for CS2 in gamma based on energy and dipole

#64 xiongyan21 closed 1 year ago
2
DFTB can undermine alpha, beta and gamma significantly

#63 xiongyan21 closed 1 year ago
5
tests/rungms.py question - how to skip two input files in a folder?

#62 ivr900 opened 2 years ago
0
Why GAMESS cannot do DFT Raman

#61 xiongyan21 closed 1 year ago
0
Compile error of mod_dft_gridint and dftgrd

#60 Makarov3821 opened 2 years ago
4
Should MR-CISD+Q be performed via GUGA or ORMAS?

#59 1234zou opened 2 years ago
0
CR-EOMSSCD(T) exciattion energies are significantly higher than TDDFTB and TDDFT B3lyp ones of test exam06-protect

#58 xiongyan21 closed 1 year ago
4
The program actually can finish although it exhibits "Exit" in the terminal

#57 xiongyan21 closed 2 years ago
3
Does the warning in Test Raman-h2co matter

#56 xiongyan21 opened 2 years ago
9
compall error

#55 computational-chemist closed 2 years ago
2
Are mutiple spin states and ROHF allowed in NEB search?

#54 xiongyan21 closed 1 year ago
28
ORNL Summit : execution error test w150.inp with GPUs

#53 hrmoncada opened 3 years ago
0
Add an option to loosen the criteria for symmetry from GAMESS input file

#52 shoubhikraj opened 3 years ago
3
Transition dipoles calculated by the determinantal CIS code are incorrect.

#51 serguei-patchkovskii opened 3 years ago
0
Error building LIBCCHEM on SUMMIT

#50 hrmoncada closed 3 years ago
1
I got a FATAL ERROR when I compile COMPALL

#49 hrmoncada opened 3 years ago
5
Errors in MCP-DZP

#48 Jellby opened 3 years ago
0
RHF energy inconsistency using built-in SBKJC and user-defined SBKJC for Pr

#47 1234zou closed 3 years ago
2
Problem with execution of libcchem (gamess.cchem.01.x) using openmpi

#46 acandac opened 3 years ago
0
gfortran error while running ./compall

#45 TheDoria17 closed 3 years ago
2
Renaming and reordering of atoms with FMO in certain parts of the output

#44 ahbarrozo opened 3 years ago
1
Compiling GAMESS in Windows with Intel Compilers, with LibXC plugin

#43 shoubhikraj opened 3 years ago
12
Unable to compile GAMESS with Intel Compilers, fails for ddi_fortran.c

#42 shoubhikraj opened 3 years ago
7
Compilation error with gfortran on Fedora 33

#41 alpacaman3 closed 3 years ago
3
DDI Process 0: trapped a floating point error (SIGFPE) when PROCESSING $FFDATA...

#40 1234zou closed 3 years ago
2
Rungms is incompatible with SLURM

#39 dishu1 closed 3 years ago
11
Time to introduce .F03 as MODULE_F extension

#38 ivr900 opened 3 years ago
0
DFT analytic hessian goes to TDDFT bug

#37 shoubhikraj closed 2 years ago
7
Unable to recalculate Hessian in IRC

#36 shoubhikraj opened 3 years ago
1
No JSON validation files in mp2grd-mpiomp and ricc-mpiomp test sets

#35 ivr900 opened 3 years ago
4
dft-libxc test fails

#34 ivr900 opened 3 years ago
0
RUNTYP=COMP does not work with parallel run

#33 shoubhikraj closed 3 years ago
3
lowest state of determinantal CI cannot be reproduced

#32 1234zou opened 3 years ago
3
2020-R2 source distribution contains object files ./ddi/src/*.o

#31 ivr900 closed 3 years ago
2
Problem with linking LIBCCHEM

#30 acandac opened 3 years ago
3
HESSIAN fails with RUNTYP=OPTIMIZE and HSSEND=.T. but works with RUNTYP=HESSIAN

#29 BDick opened 3 years ago
0
Error Message for compilation of ccsd3aacgt3B101100.f

#28 acandac opened 3 years ago
1
Gfortran version error

#27 Lucioric2000 opened 3 years ago
1
GPU code in not called in HF calculations with latest versions of GAMESS

#26 ivr900 opened 3 years ago
7