Task 38613890

Name MCL1_A36_A33_r0_2-QUICO_ATM_OpenFF_MCL1-2-6-RND5143_0
Workunit 31566306
Created 17 Apr 2026, 3:48:41 UTC
Sent 17 Apr 2026, 3:48:42 UTC
Report deadline 22 Apr 2026, 3:48:42 UTC
Received 17 Apr 2026, 5:58:38 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652091
Run time 1 hours 58 min 22 sec
CPU time 1 hours 49 min 40 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,457.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 471.90 MB
Peak swap size 4.94 GB
Peak disk usage 2.90 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
05:01:14 (21836): wrapper (7.9.26016): starting
05:01:14 (21836): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A36_A33_0.pdb
QB_A36_A33_0.xml
QB_A36_A33.inpcrd
QB_A36_A33_input.yaml
QB_A36_A33.pdb
QB_A36_A33.prmtop
QB_A36_A33_sys.xml
run.bat
run.sh
05:01:16 (21836): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:01:16 (21836): 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:\ProgramData\BOINC\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:\ProgramData\BOINC\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:\ProgramData\BOINC\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\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:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
    state = self.context.getState(getPositions=True, getVelocities=True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\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_ILLEGAL_ADDRESS (700)
06:57:15 (21836): C:/Windows/system32/cmd.exe exited; CPU time 6580.000000
06:57:15 (21836): app exit status: 0x16
06:57:15 (21836): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 109986193 bytes.
Dumping objects ->
{3835183} normal block at 0x00000150EEBA0A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x00000150EEBA12C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x00000150EEBA0990, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835150} normal block at 0x00000150EEBA0920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x00000150EEBA1090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835108} normal block at 0x00000150EEC97960, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835095} normal block at 0x00000150ECFCC540, 8 bytes long.
 Data: <  &#247;&#236;P   > 00 00 F7 EC 50 01 00 00 
{3833953} normal block at 0x00000150ECFCC1D0, 8 bytes long.
 Data: < &#235;&#251;&#236;P   > 00 EB FB EC 50 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000150ECFD5990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000150ECFBFF00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000150ECFD7240, 16 bytes long.
 Data: <&#184;|&#253;&#236;P           > B8 7C FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000150ECFD70B0, 16 bytes long.
 Data: < |&#253;&#236;P           > 90 7C FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000150ECFD2380, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x00000150ECFD6DE0, 16 bytes long.
 Data: <h|&#253;&#236;P           > 68 7C FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000150ECFD6E30, 16 bytes long.
 Data: <@|&#253;&#236;P           > 40 7C FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000150ECFD6C50, 16 bytes long.
 Data: < |&#253;&#236;P           > 18 7C FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000150ECFD7920, 16 bytes long.
 Data: <&#240;{&#253;&#236;P           > F0 7B FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000150ECFD08F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000150ECFD6C00, 16 bytes long.
 Data: <  &#252;&#236;P           > 08 0B FC EC 50 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000150ECFD2260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000150ECFD7010, 16 bytes long.
 Data: <&#224; &#252;&#236;P           > E0 0A FC EC 50 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000150ECFD6D90, 16 bytes long.
 Data: <&#184; &#252;&#236;P           > B8 0A FC EC 50 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000150ECFD6B60, 16 bytes long.
 Data: <  &#252;&#236;P           > 90 0A FC EC 50 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000150ECFD71F0, 16 bytes long.
 Data: <h &#252;&#236;P           > 68 0A FC EC 50 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000150ECFD7060, 16 bytes long.
 Data: <@ &#252;&#236;P           > 40 0A FC EC 50 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000150ECFD6FC0, 16 bytes long.
 Data: <  &#252;&#236;P           > 18 0A FC EC 50 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000150ECFD2C20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000150ECFD6B10, 16 bytes long.
 Data: <&#240;	&#252;&#236;P           > F0 09 FC EC 50 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000150ECFC09F0, 320 bytes long.
 Data: < k&#253;&#236;P    ,&#253;&#236;P   > 10 6B FD EC 50 01 00 00 20 2C FD EC 50 01 00 00 
{272} normal block at 0x00000150ECFD7740, 16 bytes long.
 Data: <&#208;{&#253;&#236;P           > D0 7B FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000150ECFD75B0, 16 bytes long.
 Data: <&#168;{&#253;&#236;P           > A8 7B FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000150ECFD29E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000150ECFD7600, 16 bytes long.
 Data: < {&#253;&#236;P           > 80 7B FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000150ECFD28C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000150ECFD7510, 16 bytes long.
 Data: <&#200;z&#253;&#236;P           > C8 7A FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000150ECFD6D40, 16 bytes long.
 Data: <&#160;z&#253;&#236;P           > A0 7A FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000150ECFD6AC0, 16 bytes long.
 Data: <xz&#253;&#236;P           > 78 7A FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000150ECFD76A0, 16 bytes long.
 Data: <Pz&#253;&#236;P           > 50 7A FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000150ECFD6A70, 16 bytes long.
 Data: <(z&#253;&#236;P           > 28 7A FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000150ECFD6A20, 16 bytes long.
 Data: < z&#253;&#236;P           > 00 7A FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000150ECFD6CF0, 16 bytes long.
 Data: <`	&#253;&#236;P           > 60 09 FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000150ECFD0960, 40 bytes long.
 Data: <&#240;l&#253;&#236;P   `y&#201;&#238;P   > F0 6C FD EC 50 01 00 00 60 79 C9 EE 50 01 00 00 
{258} normal block at 0x00000150ECFD6F70, 16 bytes long.
 Data: <&#224;y&#253;&#236;P           > E0 79 FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000150ECFD69D0, 16 bytes long.
 Data: <&#184;y&#253;&#236;P           > B8 79 FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000150ECFD2920, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000150ECFD6F20, 16 bytes long.
 Data: < y&#253;&#236;P           > 90 79 FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000150ECFD7990, 992 bytes long.
 Data: < o&#253;&#236;P    )&#253;&#236;P   > 20 6F FD EC 50 01 00 00 20 29 FD EC 50 01 00 00 
{90} normal block at 0x00000150ECFD2B60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x00000150ECFCC4F0, 16 bytes long.
 Data: <  &#253;&#236;P           > 00 05 FD EC 50 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000150ECFD0500, 40 bytes long.
 Data: <&#240;&#196;&#252;&#236;P   `+&#253;&#236;P   > F0 C4 FC EC 50 01 00 00 60 2B FD EC 50 01 00 00 
{67} normal block at 0x00000150ECFCBD70, 16 bytes long.
 Data: < &#234;&#200;J&#247;           > 80 EA C8 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000150ECFCC680, 16 bytes long.
 Data: <@&#233;&#200;J&#247;           > 40 E9 C8 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000150ECFCC180, 16 bytes long.
 Data: <&#248;W&#197;J&#247;           > F8 57 C5 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000150ECFCC0E0, 16 bytes long.
 Data: <&#216;W&#197;J&#247;           > D8 57 C5 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000150ECFCBFA0, 16 bytes long.
 Data: <P &#197;J&#247;           > 50 04 C5 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000150ECFCC770, 16 bytes long.
 Data: <0 &#197;J&#247;           > 30 04 C5 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000150ECFCC450, 16 bytes long.
 Data: <&#224; &#197;J&#247;           > E0 02 C5 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000150ECFCC400, 16 bytes long.
 Data: <  &#197;J&#247;           > 10 04 C5 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000150ECFCC090, 16 bytes long.
 Data: <p &#197;J&#247;           > 70 04 C5 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000150ECFCC9F0, 16 bytes long.
 Data: < &#192;&#195;J&#247;           > 18 C0 C3 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra