Task 38600173
| Name | p38_A27_A32_r0_3-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND0136_6 |
| Workunit | 31553396 |
| Created | 9 Apr 2026, 0:56:07 UTC |
| Sent | 9 Apr 2026, 0:56:14 UTC |
| Report deadline | 14 Apr 2026, 0:56:14 UTC |
| Received | 9 Apr 2026, 1:00:45 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643718 |
| Run time | 38 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 43,950.79 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 44.00 MB |
| Peak swap size | 33.04 MB |
| Peak disk usage | 1.41 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
20:58:40 (41484): wrapper (7.9.26016): starting
20:58:40 (41484): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A32_input.yaml
run.bat
run.sh
20:58:41 (41484): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:58:41 (41484): 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 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\app\pdbfile.py", line 93, in __init__
inputfile = open(file)
^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A27_A32.pdb'
20:58:53 (41484): C:/Windows/system32/cmd.exe exited; CPU time 0.546875
20:58:53 (41484): app exit status: 0x16
20:58:53 (41484): 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: 559025 bytes.
Dumping objects ->
{3835243} normal block at 0x000001CFB963E380, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835232} normal block at 0x000001CFB963E4D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835221} normal block at 0x000001CFB9567530, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835210} normal block at 0x000001CFB95671B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835199} normal block at 0x000001CFB9567140, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835168} normal block at 0x000001CFBB3A88B0, 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) : {3835155} normal block at 0x000001CFB955E210, 8 bytes long.
Data: < £¹Ï > 00 00 A3 B9 CF 01 00 00
{3833953} normal block at 0x000001CFB955E170, 8 bytes long.
Data: < ‹C»Ï > 10 8B 43 BB CF 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001CFB9555E40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CFB9554860, 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 0x000001CFB956A4D0, 16 bytes long.
Data: <8«V¹Ï > 38 AB 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CFB9569FD0, 16 bytes long.
Data: < «V¹Ï > 10 AB 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CFB9564750, 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 0x000001CFB956A2F0, 16 bytes long.
Data: <èªV¹Ï > E8 AA 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CFB95699E0, 16 bytes long.
Data: <ÀªV¹Ï > C0 AA 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CFB9569F80, 16 bytes long.
Data: < ªV¹Ï > 98 AA 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CFB956A110, 16 bytes long.
Data: <pªV¹Ï > 70 AA 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CFB95676F0, 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 0x000001CFB956A2A0, 16 bytes long.
Data: <È)U¹Ï > C8 29 55 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CFB9564570, 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 0x000001CFB956A200, 16 bytes long.
Data: < )U¹Ï > A0 29 55 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CFB956A480, 16 bytes long.
Data: <x)U¹Ï > 78 29 55 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CFB9569EE0, 16 bytes long.
Data: <P)U¹Ï > 50 29 55 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CFB956A430, 16 bytes long.
Data: <()U¹Ï > 28 29 55 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CFB956A3E0, 16 bytes long.
Data: < )U¹Ï > 00 29 55 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CFB956A340, 16 bytes long.
Data: <Ø(U¹Ï > D8 28 55 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CFB95647B0, 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 0x000001CFB9569A80, 16 bytes long.
Data: <°(U¹Ï > B0 28 55 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CFB95528B0, 320 bytes long.
Data: < šV¹Ï °GV¹Ï > 80 9A 56 B9 CF 01 00 00 B0 47 56 B9 CF 01 00 00
{272} normal block at 0x000001CFB95698F0, 16 bytes long.
Data: <PªV¹Ï > 50 AA 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CFB956A5C0, 16 bytes long.
Data: <(ªV¹Ï > 28 AA 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CFB95646F0, 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 0x000001CFB9569D50, 16 bytes long.
Data: < ªV¹Ï > 00 AA 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CFB9564150, 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 0x000001CFB956A570, 16 bytes long.
Data: <H©V¹Ï > 48 A9 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CFB956A660, 16 bytes long.
Data: < ©V¹Ï > 20 A9 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CFB9569E90, 16 bytes long.
Data: <ø¨V¹Ï > F8 A8 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CFB9569DA0, 16 bytes long.
Data: <ШV¹Ï > D0 A8 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CFB9569F30, 16 bytes long.
Data: <¨¨V¹Ï > A8 A8 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CFB9569DF0, 16 bytes long.
Data: < ¨V¹Ï > 80 A8 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CFB956A250, 16 bytes long.
Data: < vV¹Ï > 10 76 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CFB9567610, 40 bytes long.
Data: <P¢V¹Ï ° :»Ï > 50 A2 56 B9 CF 01 00 00 B0 88 3A BB CF 01 00 00
{258} normal block at 0x000001CFB9569E40, 16 bytes long.
Data: <`¨V¹Ï > 60 A8 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CFB956A7A0, 16 bytes long.
Data: <8¨V¹Ï > 38 A8 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001CFB9564990, 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 0x000001CFB9569B20, 16 bytes long.
Data: < ¨V¹Ï > 10 A8 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001CFB956A810, 992 bytes long.
Data: < ›V¹Ï IV¹Ï > 20 9B 56 B9 CF 01 00 00 90 49 56 B9 CF 01 00 00
{90} normal block at 0x000001CFB9564630, 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 0x000001CFB955E1C0, 16 bytes long.
Data: <`pV¹Ï > 60 70 56 B9 CF 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001CFB9567060, 40 bytes long.
Data: <ÀáU¹Ï 0FV¹Ï > C0 E1 55 B9 CF 01 00 00 30 46 56 B9 CF 01 00 00
{67} normal block at 0x000001CFB955E490, 16 bytes long.
Data: < êøjö > 80 EA F8 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CFB955DC20, 16 bytes long.
Data: <@éøjö > 40 E9 F8 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CFB955DC70, 16 bytes long.
Data: <øWõjö > F8 57 F5 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CFB955DE00, 16 bytes long.
Data: <ØWõjö > D8 57 F5 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CFB955E5D0, 16 bytes long.
Data: <P õjö > 50 04 F5 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CFB955DAE0, 16 bytes long.
Data: <0 õjö > 30 04 F5 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CFB955E580, 16 bytes long.
Data: <à õjö > E0 02 F5 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CFB955E3A0, 16 bytes long.
Data: < õjö > 10 04 F5 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001CFB955E0D0, 16 bytes long.
Data: <p õjö > 70 04 F5 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001CFB955E260, 16 bytes long.
Data: < Àójö > 18 C0 F3 6A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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