Task 38606569
| Name | MCL1_A24_A14_r0_1-QUICO_ATM_OpenFF_MCL1-0-6-RND5585_0 |
| Workunit | 31560347 |
| Created | 14 Apr 2026, 8:09:08 UTC |
| Sent | 14 Apr 2026, 8:11:15 UTC |
| Report deadline | 19 Apr 2026, 8:11:15 UTC |
| Received | 14 Apr 2026, 9:06:57 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 605003 |
| Run time | 49 sec |
| CPU time | 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 50,489.32 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 45.04 MB |
| Peak swap size | 32.44 MB |
| Peak disk usage | 1.52 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
10:12:52 (62244): wrapper (7.9.26016): starting
10:12:53 (62244): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A14_0.pdb
QB_A24_A14_0.xml
QB_A24_A14.inpcrd
QB_A24_A14_input.yaml
QB_A24_A14.pdb
QB_A24_A14.prmtop
QB_A24_A14_sys.xml
run.bat
run.sh
10:13:01 (62244): Library/usr/bin/tar.exe exited; CPU time 0.062500
10:13:01 (62244): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ERROR: Exception:
Traceback (most recent call last):
File "c:\Boinc\005\slots\15\Lib\site-packages\pip\_internal\cli\base_command.py", line 105, in _run_wrapper
status = _inner_run()
^^^^^^^^^^^^
File "c:\Boinc\005\slots\15\Lib\site-packages\pip\_internal\cli\base_command.py", line 96, in _inner_run
return self.run(options, args)
^^^^^^^^^^^^^^^^^^^^^^^
File "c:\Boinc\005\slots\15\Lib\site-packages\pip\_internal\cli\req_command.py", line 67, in wrapper
return func(self, options, args)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "c:\Boinc\005\slots\15\Lib\site-packages\pip\_internal\commands\install.py", line 379, in run
requirement_set = resolver.resolve(
^^^^^^^^^^^^^^^^^
File "c:\Boinc\005\slots\15\Lib\site-packages\pip\_internal\resolution\resolvelib\resolver.py", line 179, in resolve
self.factory.preparer.prepare_linked_requirements_more(reqs)
File "c:\Boinc\005\slots\15\Lib\site-packages\pip\_internal\operations\prepare.py", line 554, in prepare_linked_requirements_more
self._complete_partial_requirements(
File "c:\Boinc\005\slots\15\Lib\site-packages\pip\_internal\operations\prepare.py", line 489, in _complete_partial_requirements
self._prepare_linked_requirement(req, parallel_builds)
File "c:\Boinc\005\slots\15\Lib\site-packages\pip\_internal\operations\prepare.py", line 614, in _prepare_linked_requirement
hashes.check_against_path(file_path)
File "c:\Boinc\005\slots\15\Lib\site-packages\pip\_internal\utils\hashes.py", line 102, in check_against_path
return self.check_against_file(file)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "c:\Boinc\005\slots\15\Lib\site-packages\pip\_internal\utils\hashes.py", line 98, in check_against_file
return self.check_against_chunks(read_chunks(file))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "c:\Boinc\005\slots\15\Lib\site-packages\pip\_internal\utils\hashes.py", line 80, in check_against_chunks
for chunk in chunks:
File "c:\Boinc\005\slots\15\Lib\site-packages\pip\_internal\utils\misc.py", line 314, in read_chunks
chunk = file.read(size)
^^^^^^^^^^^^^^^
MemoryError
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\005\slots\15\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.
10:14:31 (62244): C:/Windows/system32/cmd.exe exited; CPU time 2.203125
10:14:31 (62244): app exit status: 0x16
10:14:31 (62244): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 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: 1814140 bytes.
Dumping objects ->
{3837286} normal block at 0x00000255490E4DB0, 48 bytes long.
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{3837275} normal block at 0x000002554AEB5760, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837264} normal block at 0x000002554AEB55E0, 32 bytes long.
Data: <TMP=c:\boinc\005> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 35
{3837253} normal block at 0x000002554AEB5C40, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837242} normal block at 0x000002554AEB6120, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3837211} normal block at 0x00000255490E4D40, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837200} normal block at 0x0000025549149AD0, 140 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) : {3837196} normal block at 0x00000255490DD600, 8 bytes long.
Data: < sIU > 00 00 73 49 55 02 00 00
{3835676} normal block at 0x0000025549149E10, 140 bytes long.
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{3833967} normal block at 0x00000255490DDD80, 8 bytes long.
Data: < × IU > A0 D7 0C 49 55 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000255490D0F50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000255490D1E30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
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{293} normal block at 0x00000255490E6310, 16 bytes long.
Data: <0f IU > 30 66 0E 49 55 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000255490E4E90, 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 0x00000255490E6220, 16 bytes long.
Data: <Ø IU > D8 07 0D 49 55 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000255490E1480, 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 0x00000255490E6090, 16 bytes long.
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{287} normal block at 0x00000255490E6040, 16 bytes long.
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Data: <` IU > 60 07 0D 49 55 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000255490E5E60, 16 bytes long.
Data: <8 IU > 38 07 0D 49 55 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000255490E5FF0, 16 bytes long.
Data: < IU > 10 07 0D 49 55 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000255490E54B0, 16 bytes long.
Data: <è IU > E8 06 0D 49 55 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000255490E1660, 32 bytes long.
Data: <CUDA_DEVICE=12 U> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 32 00 55
{281} normal block at 0x00000255490E5F50, 16 bytes long.
Data: <À IU > C0 06 0D 49 55 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000255490D06C0, 320 bytes long.
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Data: < f IU > 10 66 0E 49 55 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000255490E5FA0, 16 bytes long.
Data: <èe IU > E8 65 0E 49 55 02 00 00 00 00 00 00 00 00 00 00
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Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000255490E5DC0, 16 bytes long.
Data: <Àe IU > C0 65 0E 49 55 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000255490E0DC0, 32 bytes long.
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Data: <@d IU > 40 64 0E 49 55 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000255490E5AF0, 16 bytes long.
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{266} normal block at 0x00000255490E48E0, 40 bytes long.
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{265} normal block at 0x00000255490E61D0, 16 bytes long.
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{264} normal block at 0x00000255490E6130, 16 bytes long.
Data: <øc IU > F8 63 0E 49 55 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000255490E0D60, 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 0x00000255490E5C30, 16 bytes long.
Data: <Ðc IU > D0 63 0E 49 55 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000255490E63D0, 992 bytes long.
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{97} normal block at 0x00000255490E10C0, 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 0x00000255490DD920, 16 bytes long.
Data: < å IU > 90 E5 0C 49 55 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000255490CE590, 40 bytes long.
Data: < Ù IU À IU > 20 D9 0D 49 55 02 00 00 C0 10 0E 49 55 02 00 00
{74} normal block at 0x00000255490DD3D0, 16 bytes long.
Data: < ê¦:ö > 80 EA A6 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000255490DD0B0, 16 bytes long.
Data: <@é¦:ö > 40 E9 A6 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000255490DDB50, 16 bytes long.
Data: <øW£:ö > F8 57 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000255490DD6F0, 16 bytes long.
Data: <ØW£:ö > D8 57 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000255490DD330, 16 bytes long.
Data: <P £:ö > 50 04 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000255490DD010, 16 bytes long.
Data: <0 £:ö > 30 04 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000255490DD510, 16 bytes long.
Data: <à £:ö > E0 02 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000255490DDC90, 16 bytes long.
Data: < £:ö > 10 04 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000255490DCFC0, 16 bytes long.
Data: <p £:ö > 70 04 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000255490DD2E0, 16 bytes long.
Data: < À¡:ö > 18 C0 A1 3A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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