Task 38609637
| Name | MCL1_A30_A15_r0_2-QUICO_ATM_OpenFF_MCL1-2-6-RND0908_0 |
| Workunit | 31562656 |
| Created | 15 Apr 2026, 1:23:30 UTC |
| Sent | 15 Apr 2026, 1:23:58 UTC |
| Report deadline | 20 Apr 2026, 1:23:58 UTC |
| Received | 16 Apr 2026, 17:53:25 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 618180 |
| Run time | 20 min 35 sec |
| CPU time | 18 min 35 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,333.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 464.95 MB |
| Peak swap size | 12.53 GB |
| Peak disk usage | 2.88 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>
12:32:07 (10308): wrapper (7.9.26016): starting
12:32:07 (10308): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A30_A15_0.pdb
QB_A30_A15_0.xml
QB_A30_A15.inpcrd
QB_A30_A15_input.yaml
QB_A30_A15.pdb
QB_A30_A15.prmtop
QB_A30_A15_sys.xml
run.bat
run.sh
12:32:08 (10308): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:32:08 (10308): 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\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 'C:\ProgramData\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.
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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 324, in scheduleJobs
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 309, in print_status
# replica_intermediate = pot['intermediate']
^^^^^^^^^^^^^^^^^
OSError: [Errno 22] Invalid argument: 'QB_A30_A15_stat.txt'
12:51:22 (10308): C:/Windows/system32/cmd.exe exited; CPU time 1115.218750
12:51:22 (10308): app exit status: 0x16
12:51:22 (10308): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 19667303 bytes.
Dumping objects ->
{3835241} normal block at 0x0000029169925EC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x00000291699264E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x0000029169925F30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835208} normal block at 0x00000291699261D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x0000029169926320, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835166} normal block at 0x00000291698ABD50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835155} normal block at 0x00000291698B08A0, 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) : {3835152} normal block at 0x0000029167B7E590, 8 bytes long.
Data: < Zi‘ > 00 00 5A 69 91 02 00 00
{3834554} normal block at 0x00000291698AFC40, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x0000029167B7E4F0, 8 bytes long.
Data: <ðÙ¯g‘ > F0 D9 AF 67 91 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000029167B85D90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000029167B022D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000029167B83F20, 16 bytes long.
Data: <ø;¸g‘ > F8 3B B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000029167B84BA0, 16 bytes long.
Data: <Ð;¸g‘ > D0 3B B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000029167B7D940, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000029167B83FC0, 16 bytes long.
Data: <¨;¸g‘ > A8 3B B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000029167B84A60, 16 bytes long.
Data: < ;¸g‘ > 80 3B B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029167B84A10, 16 bytes long.
Data: <X;¸g‘ > 58 3B B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029167B84010, 16 bytes long.
Data: <0;¸g‘ > 30 3B B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029167B82020, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000029167B84920, 16 bytes long.
Data: <Ø4¸g‘ > D8 34 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029167B7D8E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000029167B849C0, 16 bytes long.
Data: <°4¸g‘ > B0 34 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029167B84970, 16 bytes long.
Data: < 4¸g‘ > 88 34 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029167B846F0, 16 bytes long.
Data: <`4¸g‘ > 60 34 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029167B848D0, 16 bytes long.
Data: <84¸g‘ > 38 34 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029167B847E0, 16 bytes long.
Data: < 4¸g‘ > 10 34 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029167B83E30, 16 bytes long.
Data: <è3¸g‘ > E8 33 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029167B7DD60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000029167B84BF0, 16 bytes long.
Data: <À3¸g‘ > C0 33 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029167B833C0, 320 bytes long.
Data: <ðK¸g‘ `Ý·g‘ > F0 4B B8 67 91 02 00 00 60 DD B7 67 91 02 00 00
{280} normal block at 0x0000029167B840B0, 16 bytes long.
Data: < ;¸g‘ > 10 3B B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029167B84060, 16 bytes long.
Data: <è:¸g‘ > E8 3A B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029167B7D280, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000029167B841A0, 16 bytes long.
Data: <À:¸g‘ > C0 3A B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029167B7D460, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000029167B84B00, 16 bytes long.
Data: < :¸g‘ > 08 3A B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029167B844C0, 16 bytes long.
Data: <à9¸g‘ > E0 39 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029167B83D90, 16 bytes long.
Data: <¸9¸g‘ > B8 39 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029167B7EE50, 16 bytes long.
Data: < 9¸g‘ > 90 39 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029167B7EE00, 16 bytes long.
Data: <h9¸g‘ > 68 39 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029167B7EA40, 16 bytes long.
Data: <@9¸g‘ > 40 39 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029167B7E950, 16 bytes long.
Data: <ð ¸g‘ > F0 1D B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029167B81DF0, 40 bytes long.
Data: <Pé·g‘ P½Ši‘ > 50 E9 B7 67 91 02 00 00 50 BD 8A 69 91 02 00 00
{266} normal block at 0x0000029167B7E630, 16 bytes long.
Data: < 9¸g‘ > 20 39 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029167B7E450, 16 bytes long.
Data: <ø8¸g‘ > F8 38 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029167B7D3A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000029167B7E400, 16 bytes long.
Data: <Ð8¸g‘ > D0 38 B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029167B838D0, 992 bytes long.
Data: < ä·g‘  Ó·g‘ > 00 E4 B7 67 91 02 00 00 A0 D3 B7 67 91 02 00 00
{98} normal block at 0x0000029167B7DCA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000029167B7E770, 16 bytes long.
Data: <@ ¸g‘ > 40 1F B8 67 91 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000029167B81F40, 40 bytes long.
Data: <pç·g‘  Ü·g‘ > 70 E7 B7 67 91 02 00 00 A0 DC B7 67 91 02 00 00
{75} normal block at 0x0000029167B7E9F0, 16 bytes long.
Data: < êõêö > 80 EA F5 EA F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000029167B7EEA0, 16 bytes long.
Data: <@éõêö > 40 E9 F5 EA F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000029167B7E180, 16 bytes long.
Data: <øWòêö > F8 57 F2 EA F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000029167B7E9A0, 16 bytes long.
Data: <ØWòêö > D8 57 F2 EA F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000029167B7E860, 16 bytes long.
Data: <P òêö > 50 04 F2 EA F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029167B7E1D0, 16 bytes long.
Data: <0 òêö > 30 04 F2 EA F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029167B7EB30, 16 bytes long.
Data: <à òêö > E0 02 F2 EA F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029167B7E680, 16 bytes long.
Data: < òêö > 10 04 F2 EA F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029167B7E310, 16 bytes long.
Data: <p òêö > 70 04 F2 EA F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029167B7F0D0, 16 bytes long.
Data: < Àðêö > 18 C0 F0 EA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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