Task 38618031
| Name | p38_2_A14_A01_r0_4-QUICO_ATM_GAFF2_NAGL_p38_2-1-6-RND2393_0 |
| Workunit | 31569588 |
| Created | 18 Apr 2026, 9:17:29 UTC |
| Sent | 18 Apr 2026, 9:17:31 UTC |
| Report deadline | 23 Apr 2026, 9:17:31 UTC |
| Received | 18 Apr 2026, 9:27:48 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652138 |
| Run time | 2 min 5 sec |
| CPU time | 37 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,071.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 361.04 MB |
| Peak swap size | 10.50 GB |
| Peak disk usage | 1.49 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
���̃I�y���[�e�B���O �V�X�e���ł� (null) �͎��s����܂���B
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:24:33 (18096): wrapper (7.9.26016): starting
18:24:33 (18096): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A01_0.pdb
QB_A14_A01_0.xml
QB_A14_A01.inpcrd
QB_A14_A01_input.yaml
QB_A14_A01.pdb
QB_A14_A01.prmtop
QB_A14_A01_sys.xml
run.bat
run.sh
18:24:35 (18096): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:24:35 (18096): 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\BOINCƒf[ƒ^\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 'F:\BOINC\BOINCƒf[ƒ^\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 "F:\BOINC\BOINCƒf[ƒ^\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
self.platform = Platform.getPlatformByName(self.platform_name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
18:25:38 (18096): C:/Windows/system32/cmd.exe exited; CPU time 37.062500
18:25:38 (18096): app exit status: 0x16
18:25:38 (18096): 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: 1041515 bytes.
Dumping objects ->
{3835376} normal block at 0x0000018F0FB91100, 48 bytes long.
Data: <PATH=F:\BOINC\BO> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F
{3835365} normal block at 0x0000018F0FB90E60, 48 bytes long.
Data: <HOME=F:\BOINC\BO> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F
{3835354} normal block at 0x0000018F0FB90A00, 48 bytes long.
Data: <TMP=F:\BOINC\BOI> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 49
{3835343} normal block at 0x0000018F0FB91480, 48 bytes long.
Data: <TEMP=F:\BOINC\BO> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F
{3835332} normal block at 0x0000018F0FB90840, 48 bytes long.
Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C
{3835301} normal block at 0x0000018F0FCD9CE0, 64 bytes long.
Data: <PATH=F:\BOINC\BO> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F
..\api\boinc_api.cpp(309) : {3835288} normal block at 0x0000018F0DCBD380, 8 bytes long.
Data: < É > 00 00 C9 0D 8F 01 00 00
{3834045} normal block at 0x0000018F0DCBD330, 8 bytes long.
Data: < xà > F0 78 C3 0F 8F 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000018F0DCB6F00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000018F0DCB58C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000018F0DCC9270, 16 bytes long.
Data: <È£Ì > C8 A3 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018F0DCC9220, 16 bytes long.
Data: < £Ì > A0 A3 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000018F0DCC5DF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000018F0DCC90E0, 16 bytes long.
Data: <x£Ì > 78 A3 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018F0DCC9F40, 16 bytes long.
Data: <P£Ì > 50 A3 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000018F0DCC9AE0, 16 bytes long.
Data: <(£Ì > 28 A3 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018F0DCC9130, 16 bytes long.
Data: < £Ì > 00 A3 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000018F0DCC3D70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000018F0DCC9EF0, 16 bytes long.
Data: < LË > 18 4C CB 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018F0DCC55B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000018F0DCC9F90, 16 bytes long.
Data: < KË > F0 4B CB 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018F0DCC9810, 16 bytes long.
Data: <ÈKË > C8 4B CB 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018F0DCC9A90, 16 bytes long.
Data: < KË > A0 4B CB 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018F0DCC9EA0, 16 bytes long.
Data: <xKË > 78 4B CB 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018F0DCC91D0, 16 bytes long.
Data: <PKË > 50 4B CB 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018F0DCC9E50, 16 bytes long.
Data: <(KË > 28 4B CB 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000018F0DCC5010, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000018F0DCC9720, 16 bytes long.
Data: < KË > 00 4B CB 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000018F0DCB4B00, 320 bytes long.
Data: < Ì PÌ > 20 97 CC 0D 8F 01 00 00 10 50 CC 0D 8F 01 00 00
{273} normal block at 0x0000018F0DCC93B0, 16 bytes long.
Data: < ¢Ì > E0 A2 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018F0DCC9950, 16 bytes long.
Data: <¸¢Ì > B8 A2 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000018F0DCC5550, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000018F0DCC9360, 16 bytes long.
Data: < ¢Ì > 90 A2 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018F0DCC5370, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000018F0DCC9CC0, 16 bytes long.
Data: <Ø¡Ì > D8 A1 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000018F0DCC9C70, 16 bytes long.
Data: <°¡Ì > B0 A1 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018F0DCC9DB0, 16 bytes long.
Data: < ¡Ì > 88 A1 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000018F0DCC9A40, 16 bytes long.
Data: <`¡Ì > 60 A1 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000018F0DCC9C20, 16 bytes long.
Data: <8¡Ì > 38 A1 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000018F0DCC9400, 16 bytes long.
Data: < ¡Ì > 10 A1 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000018F0DCC9680, 16 bytes long.
Data: <@;Ì > 40 3B CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000018F0DCC3B40, 40 bytes long.
Data: < Ì Í > 80 96 CC 0D 8F 01 00 00 E0 9C CD 0F 8F 01 00 00
{259} normal block at 0x0000018F0DCC9B30, 16 bytes long.
Data: < Ì > F0 A0 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000018F0DCC9180, 16 bytes long.
Data: <È Ì > C8 A0 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000018F0DCC5CD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000018F0DCC99F0, 16 bytes long.
Data: < Ì > A0 A0 CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000018F0DCCA0A0, 992 bytes long.
Data: < Ì Ð\Ì > F0 99 CC 0D 8F 01 00 00 D0 5C CC 0D 8F 01 00 00
{91} normal block at 0x0000018F0DCC5970, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000018F0DCBD920, 16 bytes long.
Data: <Ð:Ì > D0 3A CC 0D 8F 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000018F0DCC3AD0, 40 bytes long.
Data: < ÙË pYÌ > 20 D9 CB 0D 8F 01 00 00 70 59 CC 0D 8F 01 00 00
{66} normal block at 0x0000018F0DCBDC90, 16 bytes long.
Data: < O > 80 EA 8D 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018F0DCBD6A0, 16 bytes long.
Data: <@ O > 40 E9 8D 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000018F0DCBD1A0, 16 bytes long.
Data: < W O > F8 57 8A 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000018F0DCBD2E0, 16 bytes long.
Data: <ØW O > D8 57 8A 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000018F0DCBD290, 16 bytes long.
Data: <P O > 50 04 8A 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000018F0DCBDAB0, 16 bytes long.
Data: <0 O > 30 04 8A 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000018F0DCBD150, 16 bytes long.
Data: < O > E0 02 8A 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000018F0DCBD510, 16 bytes long.
Data: < O > 10 04 8A 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000018F0DCBDF60, 16 bytes long.
Data: <p O > 70 04 8A 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000018F0DCBDB00, 16 bytes long.
Data: < À O > 18 C0 88 4F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra