Task 38618909
| Name | HIF2A_2_A39_A30_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a_2-2-6-RND5413_0 |
| Workunit | 31570335 |
| Created | 18 Apr 2026, 16:54:52 UTC |
| Sent | 18 Apr 2026, 16:54:57 UTC |
| Report deadline | 23 Apr 2026, 16:54:57 UTC |
| Received | 19 Apr 2026, 0:21:54 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 1 (0x00000001) Unknown error code |
| Computer ID | 638742 |
| Run time | 1 hours 46 min 21 sec |
| CPU time | 1 hours 28 min 25 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,330.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 460.63 MB |
| Peak swap size | 4.97 GB |
| Peak disk usage | 4.30 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
Incorrect function.
(0x1) - exit code 1 (0x1)</message>
<stderr_txt>
13:54:17 (31776): wrapper (7.9.26016): starting
13:54:17 (31776): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A30_0.pdb
QB_A39_A30_0.xml
QB_A39_A30.inpcrd
QB_A39_A30_input.yaml
QB_A39_A30.pdb
QB_A39_A30.prmtop
QB_A39_A30_sys.xml
run.bat
run.sh
13:54:18 (31776): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:54:18 (31776): 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\13\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\13\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835191} normal block at 0x0000020720D0D730, 8 bytes long.
Data: < ! > 00 00 09 21 07 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x0000020720CFD7E0, 1080 bytes long.
Data: < H 4 > 0C 48 00 00 CD CD CD CD 34 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020720D01690, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:09:03 (34200): wrapper (7.9.26016): starting
15:09:03 (34200): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849874} normal block at 0x000001E11D4FD5B0, 8 bytes long.
Data: < > 00 00 80 1D E1 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848639} normal block at 0x000001E11F125A10, 1080 bytes long.
Data: < ` > B4 60 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E11D4F1C40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:47:17 (14040): wrapper (7.9.26016): starting
15:47:17 (14040): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849874} normal block at 0x0000015C2157FAA0, 8 bytes long.
Data: < T!\ > 00 00 54 21 5C 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848639} normal block at 0x0000015C23254AC0, 1080 bytes long.
Data: < n > B8 6E 00 00 CD CD CD CD E4 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000015C21572F70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:04:40 (30368): wrapper (7.9.26016): starting
16:04:40 (30368): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849874} normal block at 0x000001A81D9EDB30, 8 bytes long.
Data: < > 00 00 E1 1D A8 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848639} normal block at 0x000001A81F717A80, 1080 bytes long.
Data: <Du > 44 75 00 00 CD CD CD CD 94 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001A81D9E1720, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:23:43 (34140): wrapper (7.9.26016): starting
16:23:43 (34140): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849874} normal block at 0x000002165C1DD700, 8 bytes long.
Data: < Z\ > 00 00 5A 5C 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848639} normal block at 0x000002165C1CD7E0, 1080 bytes long.
Data: < d > DC 64 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002165C1D15D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:32:09 (12004): wrapper (7.9.26016): starting
18:32:09 (12004): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849874} normal block at 0x0000015B3380D4E0, 8 bytes long.
Data: < 3[ > 00 00 D9 33 5B 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848639} normal block at 0x0000015B355377D0, 1080 bytes long.
Data: <lQ > 6C 51 00 00 CD CD CD CD 84 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000015B33801210, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:15:32 (34216): wrapper (7.9.26016): starting
20:15:32 (34216): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
</stderr_txt>
]]>
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