Task 38616950

Name CDK2_A12_A10_r0_5-QUICO_ATM_GAFF2_NAGL_CDK2-5-6-RND3376_0
Workunit 31568702
Created 18 Apr 2026, 0:23:29 UTC
Sent 18 Apr 2026, 0:24:13 UTC
Report deadline 23 Apr 2026, 0:24:13 UTC
Received 18 Apr 2026, 16:32:58 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 464557
Run time 23 min 6 sec
CPU time 21 min 22 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 10,075.27 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 813.54 MB
Peak swap size 3.80 GB
Peak disk usage 3.73 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:10:16 (11664): wrapper (7.9.26016): starting
18:10:16 (11664): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A12_A10_0.pdb
QB_A12_A10_0.xml
QB_A12_A10.inpcrd
QB_A12_A10_input.yaml
QB_A12_A10.pdb
QB_A12_A10.prmtop
QB_A12_A10_sys.xml
run.bat
run.sh
18:10:17 (11664): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:10:17 (11664): 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 'C:\BOINC\ProgramData\slots\1\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 'C:\BOINC\ProgramData\slots\1\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 "C:\BOINC\ProgramData\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\BOINC\ProgramData\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\BOINC\ProgramData\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\BOINC\ProgramData\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\BOINC\ProgramData\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\BOINC\ProgramData\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
    (pos,vel) = job['openmm_worker'].get_posvel()
                ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\BOINC\ProgramData\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
    state = self.context.getState(getPositions=True, getVelocities=True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\BOINC\ProgramData\slots\1\Lib\site-packages\openmm\openmm.py", line 5022, in getState
    state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_UNKNOWN (999)
18:32:18 (11664): C:/Windows/system32/cmd.exe exited; CPU time 1282.250000
18:32:18 (11664): app exit status: 0x16
18:32:18 (11664): called boinc_finish(195)
0 bytes in 0 Free Blocks.
576 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: 15518051 bytes.
Dumping objects ->
{3835241} normal block at 0x0000027C14D31430, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x0000027C14D317B0, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x0000027C14D30DA0, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x0000027C14D313C0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x0000027C14D31890, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x0000027C14EADED0, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x0000027C14F52F50, 160 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) : {3835152} normal block at 0x0000027C133B7AE0, 8 bytes long.
 Data: <  4 |   > 00 00 34 13 7C 02 00 00 
{3834548} normal block at 0x0000027C14F52770, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000027C133B7D10, 8 bytes long.
 Data: <&#240;&#195;&#231; |   > F0 C3 E7 14 7C 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000027C133C3290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027C133A6300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000027C133C4BE0, 16 bytes long.
 Data: <8U< |           > 38 55 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027C133C4E60, 16 bytes long.
 Data: < U< |           > 10 55 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027C133BC1D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000027C133C4370, 16 bytes long.
 Data: <&#232;T< |           > E8 54 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027C133C4E10, 16 bytes long.
 Data: <&#192;T< |           > C0 54 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027C133C4AF0, 16 bytes long.
 Data: < T< |           > 98 54 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027C133C4AA0, 16 bytes long.
 Data: <pT< |           > 70 54 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027C133BE500, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000027C133C4B40, 16 bytes long.
 Data: < b: |           > 98 62 3A 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027C133BBCF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000027C133C4A50, 16 bytes long.
 Data: <pb: |           > 70 62 3A 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027C133C4320, 16 bytes long.
 Data: <Hb: |           > 48 62 3A 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027C133C4A00, 16 bytes long.
 Data: < b: |           > 20 62 3A 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027C133C49B0, 16 bytes long.
 Data: <&#248;a: |           > F8 61 3A 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027C133C4910, 16 bytes long.
 Data: <&#208;a: |           > D0 61 3A 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027C133C4B90, 16 bytes long.
 Data: <&#168;a: |           > A8 61 3A 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027C133BC290, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000027C133C4FF0, 16 bytes long.
 Data: < a: |           > 80 61 3A 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027C133A6180, 320 bytes long.
 Data: <&#240;O< |    &#194;; |   > F0 4F 3C 13 7C 02 00 00 90 C2 3B 13 7C 02 00 00 
{271} normal block at 0x0000027C133C4640, 16 bytes long.
 Data: <PT< |           > 50 54 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027C133C48C0, 16 bytes long.
 Data: <(T< |           > 28 54 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027C133BC770, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000027C133C4280, 16 bytes long.
 Data: < T< |           > 00 54 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027C133BCB90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000027C133C47D0, 16 bytes long.
 Data: <HS< |           > 48 53 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027C133C40A0, 16 bytes long.
 Data: < S< |           > 20 53 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027C133C45A0, 16 bytes long.
 Data: <&#248;R< |           > F8 52 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027C133C4460, 16 bytes long.
 Data: <&#208;R< |           > D0 52 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027C133C42D0, 16 bytes long.
 Data: <&#168;R< |           > A8 52 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027C133C4870, 16 bytes long.
 Data: < R< |           > 80 52 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027C133C4780, 16 bytes long.
 Data: <@&#227;; |           > 40 E3 3B 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027C133BE340, 40 bytes long.
 Data: < G< |   &#208;&#222;&#234; |   > 80 47 3C 13 7C 02 00 00 D0 DE EA 14 7C 02 00 00 
{257} normal block at 0x0000027C133C4730, 16 bytes long.
 Data: <`R< |           > 60 52 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027C133C4FA0, 16 bytes long.
 Data: <8R< |           > 38 52 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000027C133BC230, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000027C133C46E0, 16 bytes long.
 Data: < R< |           > 10 52 3C 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000027C133C5210, 992 bytes long.
 Data: <&#224;F< |   0&#194;; |   > E0 46 3C 13 7C 02 00 00 30 C2 3B 13 7C 02 00 00 
{89} normal block at 0x0000027C133BC410, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000027C133B7720, 16 bytes long.
 Data: < &#225;; |           > 10 E1 3B 13 7C 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000027C133BE110, 40 bytes long.
 Data: < w; |    &#196;; |   > 20 77 3B 13 7C 02 00 00 10 C4 3B 13 7C 02 00 00 
{66} normal block at 0x0000027C133B7A40, 16 bytes long.
 Data: < &#234;&#180;&#158;&#247;           > 80 EA B4 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027C133B75E0, 16 bytes long.
 Data: <@&#233;&#180;&#158;&#247;           > 40 E9 B4 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027C133B7770, 16 bytes long.
 Data: <&#248;W&#177;&#158;&#247;           > F8 57 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027C133B71D0, 16 bytes long.
 Data: <&#216;W&#177;&#158;&#247;           > D8 57 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027C133B7090, 16 bytes long.
 Data: <P &#177;&#158;&#247;           > 50 04 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027C133B79F0, 16 bytes long.
 Data: <0 &#177;&#158;&#247;           > 30 04 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027C133B7950, 16 bytes long.
 Data: <&#224; &#177;&#158;&#247;           > E0 02 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027C133B7180, 16 bytes long.
 Data: <  &#177;&#158;&#247;           > 10 04 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027C133B74A0, 16 bytes long.
 Data: <p &#177;&#158;&#247;           > 70 04 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027C133B7CC0, 16 bytes long.
 Data: < &#192;&#175;&#158;&#247;           > 18 C0 AF 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra