Task 38600453
| Name | p38_A27_A32_r0_1-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND9553_5 |
| Workunit | 31553394 |
| Created | 9 Apr 2026, 3:41:57 UTC |
| Sent | 9 Apr 2026, 3:42:02 UTC |
| Report deadline | 14 Apr 2026, 3:42:02 UTC |
| Received | 9 Apr 2026, 3:46:35 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 651032 |
| Run time | 3 min 5 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 2,504.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 57.35 MB |
| Peak swap size | 5.67 GB |
| Peak disk usage | 1.41 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
05:44:21 (5368): wrapper (7.9.26016): starting
05:44:21 (5368): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A32_input.yaml
run.bat
run.sh
05:44:24 (5368): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:44:24 (5368): 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 'D:\BOINC\slots\16\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 'D:\BOINC\slots\16\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 "D:\BOINC\slots\16\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC\slots\16\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\BOINC\slots\16\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 "D:\BOINC\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "D:\BOINC\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "D:\BOINC\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "D:\BOINC\slots\16\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "D:\BOINC\slots\16\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC\slots\16\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'
05:44:46 (5368): C:/Windows/system32/cmd.exe exited; CPU time 0.281250
05:44:46 (5368): app exit status: 0x16
05:44:50 (5368): 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: 469005 bytes.
Dumping objects ->
{3835493} normal block at 0x000001FCF8EA7CF0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835482} normal block at 0x000001FCFABD2510, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835471} normal block at 0x000001FCFABD24B0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835460} normal block at 0x000001FCFABD2750, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835449} normal block at 0x000001FCFABD3AD0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835418} normal block at 0x000001FCF8EA76D0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835407} normal block at 0x000001FCF8F0B7E0, 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) : {3835403} normal block at 0x000001FCF8E9B890, 8 bytes long.
Data: < Kùü > 00 00 4B F9 FC 01 00 00
{3834681} normal block at 0x000001FCF8F0B230, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833973} normal block at 0x000001FCF8E9B840, 8 bytes long.
Data: <ðàèøü > F0 E0 E8 F8 FC 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001FCF8E91760, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001FCF8E92DB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000001FCF8EA63A0, 16 bytes long.
Data: < uêøü > 88 75 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001FCF8EA6AD0, 16 bytes long.
Data: <`uêøü > 60 75 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001FCF8EA0DD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000001FCF8EA6800, 16 bytes long.
Data: <8uêøü > 38 75 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001FCF8EA6A80, 16 bytes long.
Data: < uêøü > 10 75 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FCF8EA62B0, 16 bytes long.
Data: <ètêøü > E8 74 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FCF8EA65D0, 16 bytes long.
Data: <Àtêøü > C0 74 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FCF8EA7970, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000001FCF8EA5EF0, 16 bytes long.
Data: <Hüèøü > 48 FC E8 F8 FC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FCF8EA0EF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000001FCF8EA5EA0, 16 bytes long.
Data: < üèøü > 20 FC E8 F8 FC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FCF8EA6170, 16 bytes long.
Data: <øûèøü > F8 FB E8 F8 FC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FCF8EA6A30, 16 bytes long.
Data: <Ðûèøü > D0 FB E8 F8 FC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FCF8EA5FE0, 16 bytes long.
Data: <¨ûèøü > A8 FB E8 F8 FC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FCF8EA6DF0, 16 bytes long.
Data: < ûèøü > 80 FB E8 F8 FC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FCF8EA6440, 16 bytes long.
Data: <Xûèøü > 58 FB E8 F8 FC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FCF8EA0D10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000001FCF8EA6670, 16 bytes long.
Data: <0ûèøü > 30 FB E8 F8 FC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FCF8E8FB30, 320 bytes long.
Data: <pfêøü êøü > 70 66 EA F8 FC 01 00 00 10 0D EA F8 FC 01 00 00
{282} normal block at 0x000001FCF8EA66C0, 16 bytes long.
Data: < têøü > A0 74 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FCF8EA6300, 16 bytes long.
Data: <xtêøü > 78 74 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FCF8EA0CB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000001FCF8EA6260, 16 bytes long.
Data: <Ptêøü > 50 74 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FCF8EA0E90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000001FCF8EA6710, 16 bytes long.
Data: < sêøü > 98 73 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FCF8EA6120, 16 bytes long.
Data: <psêøü > 70 73 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FCF8EA6DA0, 16 bytes long.
Data: <Hsêøü > 48 73 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FCF8EA5F40, 16 bytes long.
Data: < sêøü > 20 73 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FCF8EA69E0, 16 bytes long.
Data: <ørêøü > F8 72 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FCF8EA6D50, 16 bytes long.
Data: <Ðrêøü > D0 72 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FCF8EA6D00, 16 bytes long.
Data: < Êèøü > 90 CA E8 F8 FC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FCF8E8CA90, 40 bytes long.
Data: < mêøü Ðvêøü > 00 6D EA F8 FC 01 00 00 D0 76 EA F8 FC 01 00 00
{268} normal block at 0x000001FCF8EA6990, 16 bytes long.
Data: <°rêøü > B0 72 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FCF8EA6580, 16 bytes long.
Data: < rêøü > 88 72 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FCF8EA10D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000001FCF8EA68A0, 16 bytes long.
Data: <`rêøü > 60 72 EA F8 FC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FCF8EA7260, 992 bytes long.
Data: < hêøü Ð êøü > A0 68 EA F8 FC 01 00 00 D0 10 EA F8 FC 01 00 00
{100} normal block at 0x000001FCF8EA0B30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000001FCF8E9BF20, 16 bytes long.
Data: <0øèøü > 30 F8 E8 F8 FC 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001FCF8E8F830, 40 bytes long.
Data: < ¿éøü 0 êøü > 20 BF E9 F8 FC 01 00 00 30 0B EA F8 FC 01 00 00
{77} normal block at 0x000001FCF8E9B3E0, 16 bytes long.
Data: < êíyö > 80 EA ED 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001FCF8E9B750, 16 bytes long.
Data: <@éíyö > 40 E9 ED 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001FCF8E9C240, 16 bytes long.
Data: <øWêyö > F8 57 EA 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001FCF8E9B7A0, 16 bytes long.
Data: <ØWêyö > D8 57 EA 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001FCF8E9BA70, 16 bytes long.
Data: <P êyö > 50 04 EA 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FCF8E9B660, 16 bytes long.
Data: <0 êyö > 30 04 EA 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FCF8E9B8E0, 16 bytes long.
Data: <à êyö > E0 02 EA 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FCF8E9B610, 16 bytes long.
Data: < êyö > 10 04 EA 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FCF8E9B390, 16 bytes long.
Data: <p êyö > 70 04 EA 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FCF8E9B6B0, 16 bytes long.
Data: < Àèyö > 18 C0 E8 79 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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