Task 38596152

Name TYK2_A04_A02_r0_1-QUICO_ATM_OFF23_NAGL_TYK2-0-4-RND6687_3
Workunit 31552116
Created 24 Mar 2026, 11:07:23 UTC
Sent 24 Mar 2026, 11:07:27 UTC
Report deadline 29 Mar 2026, 11:07:27 UTC
Received 24 Mar 2026, 11:13:17 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 628418
Run time 1 min 35 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 9,336.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 221.86 MB
Peak swap size 9.05 GB
Peak disk usage 2.80 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:11:25 (35008): wrapper (7.9.26016): starting
11:11:25 (35008): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A02_0.pdb
QB_A04_A02_0.xml
QB_A04_A02.inpcrd
QB_A04_A02_input.yaml
QB_A04_A02.pdb
QB_A04_A02.prmtop
QB_A04_A02_sys.xml
run.bat
run.sh
11:11:27 (35008): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:11:27 (35008): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'D:\BOINC_DATA\slots\2\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\BOINC_DATA\slots\2\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "<frozen runpy>", line 198, in _run_module_as_main
  File "<frozen runpy>", line 88, in _run_code
  File "D:\BOINC_DATA\slots\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
    self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
    self._openmm_worker_body()
  File "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
    self.ommsystem.create_system()
  File "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
    self.load_system()
  File "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
    self.system = XmlSerializer.deserialize(input.read())
                  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC_DATA\slots\2\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
    return XmlSerializer.deserializeSystem(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC_DATA\slots\2\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
    return _openmm.XmlSerializer_deserializeSystem(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
11:11:45 (35008): C:/Windows/system32/cmd.exe exited; CPU time 2.078125
11:11:45 (35008): app exit status: 0x16
11:11:45 (35008): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 566975 bytes.
Dumping objects ->
{3835249} normal block at 0x0000029515281170, 48 bytes long.
 Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835238} normal block at 0x00000295153C56F0, 32 bytes long.
 Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835227} normal block at 0x00000295153C5C90, 32 bytes long.
 Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54 
{3835216} normal block at 0x00000295153C4D30, 32 bytes long.
 Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835205} normal block at 0x00000295153C4D90, 32 bytes long.
 Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F 
{3835174} normal block at 0x0000029515280D10, 48 bytes long.
 Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835163} normal block at 0x00000295153CA230, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835160} normal block at 0x00000295137671D0, 8 bytes long.
 Data: <  n &#149;   > 00 00 6E 13 95 02 00 00 
{3834563} normal block at 0x00000295153CA140, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000029513766F00, 8 bytes long.
 Data: <`F@ &#149;   > 60 46 40 15 95 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000029513771B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000029513756230, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000295137737B0, 16 bytes long.
 Data: <x?w &#149;           > 78 3F 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000029513772EA0, 16 bytes long.
 Data: <P?w &#149;           > 50 3F 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002951376C6E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000029513772D60, 16 bytes long.
 Data: <(?w &#149;           > 28 3F 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029513773760, 16 bytes long.
 Data: < ?w &#149;           > 00 3F 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029513773580, 16 bytes long.
 Data: <&#216;>w &#149;           > D8 3E 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029513772CC0, 16 bytes long.
 Data: <&#176;>w &#149;           > B0 3E 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002951376D7A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000029513772AE0, 16 bytes long.
 Data: <&#200;au &#149;           > C8 61 75 13 95 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002951376C080, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000029513773490, 16 bytes long.
 Data: <&#160;au &#149;           > A0 61 75 13 95 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029513773940, 16 bytes long.
 Data: <xau &#149;           > 78 61 75 13 95 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029513773670, 16 bytes long.
 Data: <Pau &#149;           > 50 61 75 13 95 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029513773440, 16 bytes long.
 Data: <(au &#149;           > 28 61 75 13 95 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029513773990, 16 bytes long.
 Data: < au &#149;           > 00 61 75 13 95 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029513773850, 16 bytes long.
 Data: <&#216;`u &#149;           > D8 60 75 13 95 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002951376B9C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000029513773260, 16 bytes long.
 Data: <&#176;`u &#149;           > B0 60 75 13 95 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000295137560B0, 320 bytes long.
 Data: <`2w &#149;   &#192;&#185;v &#149;   > 60 32 77 13 95 02 00 00 C0 B9 76 13 95 02 00 00 
{279} normal block at 0x0000029513773120, 16 bytes long.
 Data: < >w &#149;           > 90 3E 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000295137734E0, 16 bytes long.
 Data: <h>w &#149;           > 68 3E 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002951376B960, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000029513772C20, 16 bytes long.
 Data: <@>w &#149;           > 40 3E 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002951376C1A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000029513772F90, 16 bytes long.
 Data: < =w &#149;           > 88 3D 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029513773350, 16 bytes long.
 Data: <`=w &#149;           > 60 3D 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029513772F40, 16 bytes long.
 Data: <8=w &#149;           > 38 3D 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029513773300, 16 bytes long.
 Data: < =w &#149;           > 10 3D 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029513773030, 16 bytes long.
 Data: <&#232;<w &#149;           > E8 3C 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029513772BD0, 16 bytes long.
 Data: <&#192;<w &#149;           > C0 3C 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029513772D10, 16 bytes long.
 Data: <&#192;&#214;v &#149;           > C0 D6 76 13 95 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002951376D6C0, 40 bytes long.
 Data: < -w &#149;     ( &#149;   > 10 2D 77 13 95 02 00 00 10 0D 28 15 95 02 00 00 
{265} normal block at 0x0000029513773530, 16 bytes long.
 Data: <&#160;<w &#149;           > A0 3C 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029513773A30, 16 bytes long.
 Data: <x<w &#149;           > 78 3C 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002951376C260, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000029513772EF0, 16 bytes long.
 Data: <P<w &#149;           > 50 3C 77 13 95 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029513773C50, 992 bytes long.
 Data: <&#240;.w &#149;   `&#194;v &#149;   > F0 2E 77 13 95 02 00 00 60 C2 76 13 95 02 00 00 
{97} normal block at 0x000002951376BCC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000029513767630, 16 bytes long.
 Data: <&#224;&#213;v &#149;           > E0 D5 76 13 95 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002951376D5E0, 40 bytes long.
 Data: <0vv &#149;   &#192;&#188;v &#149;   > 30 76 76 13 95 02 00 00 C0 BC 76 13 95 02 00 00 
{74} normal block at 0x00000295137677C0, 16 bytes long.
 Data: < &#234;kG&#247;           > 80 EA 6B 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000029513766D70, 16 bytes long.
 Data: <@&#233;kG&#247;           > 40 E9 6B 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000029513766AA0, 16 bytes long.
 Data: <&#248;WhG&#247;           > F8 57 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000295137673B0, 16 bytes long.
 Data: <&#216;WhG&#247;           > D8 57 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029513767810, 16 bytes long.
 Data: <P hG&#247;           > 50 04 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029513767450, 16 bytes long.
 Data: <0 hG&#247;           > 30 04 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000295137679A0, 16 bytes long.
 Data: <&#224; hG&#247;           > E0 02 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029513767360, 16 bytes long.
 Data: <  hG&#247;           > 10 04 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029513766D20, 16 bytes long.
 Data: <p hG&#247;           > 70 04 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000295137672C0, 16 bytes long.
 Data: < &#192;fG&#247;           > 18 C0 66 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra