Task 38603201
| Name | JNK1_A13_A15_r0_4-QUICO_ATM_GAFF2_NAGL_JNK1-4-6-RND1264_0 |
| Workunit | 31557499 |
| Created | 10 Apr 2026, 13:44:39 UTC |
| Sent | 10 Apr 2026, 13:44:41 UTC |
| Report deadline | 15 Apr 2026, 13:44:41 UTC |
| Received | 10 Apr 2026, 18:08:01 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 636680 |
| Run time | 1 hours 36 min 29 sec |
| CPU time | 1 hours 36 min 29 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 7,972.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 638.49 MB |
| Peak swap size | 8.24 GB |
| Peak disk usage | 3.05 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter <sporadic_ac>.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:49:30 (31496): wrapper (7.9.26016): starting
15:49:30 (31496): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A15_0.pdb
QB_A13_A15_0.xml
QB_A13_A15.inpcrd
QB_A13_A15_input.yaml
QB_A13_A15.pdb
QB_A13_A15.prmtop
QB_A13_A15_sys.xml
run.bat
run.sh
15:49:32 (31496): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:49:32 (31496): 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 'F:\Boinc\slots\0\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 'F:\Boinc\slots\0\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.
19:59:35 (26864): wrapper (7.9.26016): starting
19:59:35 (26864): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier F:\Boinc\slots\0\tmp existe d‚j….
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 "F:\Boinc\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "F:\Boinc\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "F:\Boinc\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "F:\Boinc\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "F:\Boinc\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\Boinc\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\Boinc\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 469, in get_posvel
self.velocities = state.getVelocities(asNumpy=True).value_in_unit(nanometers/picoseconds)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\Boinc\slots\0\Lib\site-packages\openmm\openmm.py", line 18642, in getVelocities
self._velocitiesNumpy = numpy.empty([self._getNumParticles(), 3], numpy.float64)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
numpy.core._exceptions._ArrayMemoryError: Unable to allocate 1.24 MiB for an array with shape (54368, 3) and data type float64
20:06:27 (26864): C:/Windows/system32/cmd.exe exited; CPU time 358.765625
20:06:27 (26864): app exit status: 0x16
20:06:27 (26864): called boinc_finish(195)
0 bytes in 0 Free Blocks.
380 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: 7905718 bytes.
Dumping objects ->
{1630} normal block at 0x0000026C389E4480, 48 bytes long.
Data: <PATH=F:\Boinc\sl> 50 41 54 48 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C
{1619} normal block at 0x0000026C389E09D0, 32 bytes long.
Data: <HOME=F:\Boinc\sl> 48 4F 4D 45 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C
{1608} normal block at 0x0000026C389E06D0, 32 bytes long.
Data: <TMP=F:\Boinc\slo> 54 4D 50 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C 6F
{1597} normal block at 0x0000026C389E02B0, 32 bytes long.
Data: <TEMP=F:\Boinc\sl> 54 45 4D 50 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C
{1586} normal block at 0x0000026C389E0370, 32 bytes long.
Data: <TMPDIR=F:\Boinc\> 54 4D 50 44 49 52 3D 46 3A 5C 42 6F 69 6E 63 5C
{1555} normal block at 0x0000026C389E4790, 48 bytes long.
Data: <PATH=F:\Boinc\sl> 50 41 54 48 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C
{1544} normal block at 0x0000026C389CBA90, 102 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) : {1541} normal block at 0x0000026C389E6220, 8 bytes long.
Data: < 8l > 00 00 96 38 6C 02 00 00
{915} normal block at 0x0000026C389CC630, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{308} normal block at 0x0000026C389E6B30, 8 bytes long.
Data: < s 8l > D0 73 9E 38 6C 02 00 00
{299} normal block at 0x0000026C389D2050, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000026C389E65E0, 16 bytes long.
Data: < r 8l > D8 72 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000026C389E6AE0, 16 bytes long.
Data: < r 8l > B0 72 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026C389E0670, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000026C389E69A0, 16 bytes long.
Data: < r 8l > 88 72 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026C389E63B0, 16 bytes long.
Data: <`r 8l > 60 72 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026C389E6360, 16 bytes long.
Data: <8r 8l > 38 72 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026C389E6720, 16 bytes long.
Data: < r 8l > 10 72 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026C389E4720, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000026C389E6590, 16 bytes long.
Data: < 8l > C8 0C 9D 38 6C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026C389DFCB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000026C389E6CC0, 16 bytes long.
Data: < 8l > A0 0C 9D 38 6C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026C389E6310, 16 bytes long.
Data: <x 8l > 78 0C 9D 38 6C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026C389E6A90, 16 bytes long.
Data: <P 8l > 50 0C 9D 38 6C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026C389E6C20, 16 bytes long.
Data: <( 8l > 28 0C 9D 38 6C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026C389E6BD0, 16 bytes long.
Data: < 8l > 00 0C 9D 38 6C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026C389E6DB0, 16 bytes long.
Data: < 8l > D8 0B 9D 38 6C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026C389E0970, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000026C389E6680, 16 bytes long.
Data: < 8l > B0 0B 9D 38 6C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026C389D0BB0, 320 bytes long.
Data: < f 8l p 8l > 80 66 9E 38 6C 02 00 00 70 09 9E 38 6C 02 00 00
{278} normal block at 0x0000026C389E6900, 16 bytes long.
Data: < q 8l > F0 71 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026C389E6EF0, 16 bytes long.
Data: < q 8l > C8 71 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026C389E0910, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000026C389E64A0, 16 bytes long.
Data: < q 8l > A0 71 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026C389E03D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000026C389E64F0, 16 bytes long.
Data: < p 8l > E8 70 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026C389E6860, 16 bytes long.
Data: < p 8l > C0 70 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026C389E6090, 16 bytes long.
Data: < p 8l > 98 70 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026C389E62C0, 16 bytes long.
Data: <pp 8l > 70 70 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026C389E6040, 16 bytes long.
Data: <Hp 8l > 48 70 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026C389E68B0, 16 bytes long.
Data: < p 8l > 20 70 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026C389E66D0, 16 bytes long.
Data: < F 8l > B0 46 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026C389E46B0, 40 bytes long.
Data: < f 8l G 8l > D0 66 9E 38 6C 02 00 00 90 47 9E 38 6C 02 00 00
{264} normal block at 0x0000026C389E6810, 16 bytes long.
Data: < p 8l > 00 70 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026C389E6A40, 16 bytes long.
Data: < o 8l > D8 6F 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026C389E0790, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000026C389E6450, 16 bytes long.
Data: < o 8l > B0 6F 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026C389E6FB0, 992 bytes long.
Data: <Pd 8l 8l > 50 64 9E 38 6C 02 00 00 90 07 9E 38 6C 02 00 00
{96} normal block at 0x0000026C389DFB90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000026C389DDB40, 16 bytes long.
Data: <@F 8l > 40 46 9E 38 6C 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000026C389E4640, 40 bytes long.
Data: <@ 8l 8l > 40 DB 9D 38 6C 02 00 00 90 FB 9D 38 6C 02 00 00
{73} normal block at 0x0000026C389DDE10, 16 bytes long.
Data: < > 80 EA 01 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000026C389DE1D0, 16 bytes long.
Data: <@ > 40 E9 01 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026C389DE770, 16 bytes long.
Data: < W > F8 57 FE E9 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026C389DE220, 16 bytes long.
Data: < W > D8 57 FE E9 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026C389DE4F0, 16 bytes long.
Data: <P > 50 04 FE E9 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026C389DE180, 16 bytes long.
Data: <0 > 30 04 FE E9 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026C389DE450, 16 bytes long.
Data: < > E0 02 FE E9 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026C389DE130, 16 bytes long.
Data: < > 10 04 FE E9 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026C389DDFF0, 16 bytes long.
Data: <p > 70 04 FE E9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026C389DE680, 16 bytes long.
Data: < > 18 C0 FC E9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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