Task 38583701
| Name | PFKFB3_A18_A25_r0_3-QUICO_ATM_GAFF2_LOMAP_PFKFB3-2-5-RND4173_0 |
| Workunit | 31547768 |
| Created | 14 Dec 2025, 13:36:09 UTC |
| Sent | 14 Dec 2025, 13:36:11 UTC |
| Report deadline | 19 Dec 2025, 13:36:11 UTC |
| Received | 14 Dec 2025, 21:02:19 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 551055 |
| Run time | 6 hours 22 min 38 sec |
| CPU time | 6 hours 22 min 38 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 11,342.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 781.63 MB |
| Peak swap size | 8.38 GB |
| Peak disk usage | 3.69 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
06:52:03 (8060): wrapper (7.9.26016): starting
06:52:03 (8060): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A25_0.pdb
QB_A18_A25_0.xml
QB_A18_A25_equil.pdb
QB_A18_A25.inpcrd
QB_A18_A25_input.yaml
QB_A18_A25_mdlambda.pdb
QB_A18_A25_min.pdb
QB_A18_A25_npt.pdb
QB_A18_A25.pdb
QB_A18_A25.prmtop
QB_A18_A25_sys.xml
QB_A18_A25_therm.pdb
run.bat
run.sh
06:52:31 (8060): Library/usr/bin/tar.exe exited; CPU time 0.109375
06:52:31 (8060): 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 'J:\BOINC_Data\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 'J:\BOINC_Data\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835118} normal block at 0x000001C2CDDEDAF0, 8 bytes long.
Data: < * > 00 00 2A CE C2 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x000001C2CDDDD9A0, 1080 bytes long.
Data: < > F0 10 00 00 CD CD CD CD 04 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C2CDDE1010, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:54:34 (52088): wrapper (7.9.26016): starting
11:54:34 (52088): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000288361262C0, 8 bytes long.
Data: < `6 > 00 00 60 36 88 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000028836127060, 1080 bytes long.
Data: < > E8 B6 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
12:04:58 (14068): wrapper (7.9.26016): starting
12:04:58 (14068): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000002A74F4A6600, 8 bytes long.
Data: < FO > 00 00 46 4F A7 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002A74F4A7080, 1080 bytes long.
Data: < > 20 CB 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
12:10:08 (53344): wrapper (7.9.26016): starting
12:10:08 (53344): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
14:00:32 (53344): C:/Windows/system32/cmd.exe exited; CPU time 6225.015625
14:00:32 (53344): app exit status: 0xc0000142
14:00:32 (53344): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 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: 118196193 bytes.
Dumping objects ->
{1551} normal block at 0x0000025F1A6E5330, 48 bytes long.
Data: <PATH=J:\BOINC_Da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5F 44 61
{1540} normal block at 0x0000025F1A6E0120, 32 bytes long.
Data: <HOME=J:\BOINC_Da> 48 4F 4D 45 3D 4A 3A 5C 42 4F 49 4E 43 5F 44 61
{1529} normal block at 0x0000025F1A6DF940, 32 bytes long.
Data: <TMP=J:\BOINC_Dat> 54 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5F 44 61 74
{1518} normal block at 0x0000025F1A6DFAC0, 32 bytes long.
Data: <TEMP=J:\BOINC_Da> 54 45 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5F 44 61
{1507} normal block at 0x0000025F1A6DFC40, 32 bytes long.
Data: <TMPDIR=J:\BOINC_> 54 4D 50 44 49 52 3D 4A 3A 5C 42 4F 49 4E 43 5F
{1476} normal block at 0x0000025F1A6E55D0, 48 bytes long.
Data: <PATH=J:\BOINC_Da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5F 44 61
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000025F1A6E5FC0, 8 bytes long.
Data: < _ > 00 00 CA 1A 5F 02 00 00
{306} normal block at 0x0000025F1A6E5E30, 8 bytes long.
Data: < pn _ > 80 70 6E 1A 5F 02 00 00
{297} normal block at 0x0000025F1A6D24B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000025F1A6E6380, 16 bytes long.
Data: < on _ > 88 6F 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025F1A6E61A0, 16 bytes long.
Data: <`on _ > 60 6F 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025F1A6E0060, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000025F1A6E64C0, 16 bytes long.
Data: <8on _ > 38 6F 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025F1A6E5D90, 16 bytes long.
Data: < on _ > 10 6F 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025F1A6E5DE0, 16 bytes long.
Data: < nn _ > E8 6E 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025F1A6E6920, 16 bytes long.
Data: < nn _ > C0 6E 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025F1A6E5790, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000025F1A6E62E0, 16 bytes long.
Data: < m _ > D8 09 6D 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025F1A6DF880, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000025F1A6E6880, 16 bytes long.
Data: < m _ > B0 09 6D 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025F1A6E6290, 16 bytes long.
Data: < m _ > 88 09 6D 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025F1A6E60B0, 16 bytes long.
Data: <` m _ > 60 09 6D 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025F1A6E5F20, 16 bytes long.
Data: <8 m _ > 38 09 6D 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025F1A6E6740, 16 bytes long.
Data: < m _ > 10 09 6D 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025F1A6E6510, 16 bytes long.
Data: < m _ > E8 08 6D 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025F1A6DFD00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000025F1A6E5E80, 16 bytes long.
Data: < m _ > C0 08 6D 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025F1A6D08C0, 320 bytes long.
Data: < ^n _ m _ > 80 5E 6E 1A 5F 02 00 00 00 FD 6D 1A 5F 02 00 00
{276} normal block at 0x0000025F1A6E5ED0, 16 bytes long.
Data: < nn _ > A0 6E 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025F1A6E67E0, 16 bytes long.
Data: <xnn _ > 78 6E 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025F1A6E0000, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000025F1A6E66A0, 16 bytes long.
Data: <Pnn _ > 50 6E 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025F1A6DF8E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000025F1A6E5F70, 16 bytes long.
Data: < mn _ > 98 6D 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025F1A6E66F0, 16 bytes long.
Data: <pmn _ > 70 6D 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025F1A6E6B50, 16 bytes long.
Data: <Hmn _ > 48 6D 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025F1A6E5D40, 16 bytes long.
Data: < mn _ > 20 6D 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025F1A6E6060, 16 bytes long.
Data: < ln _ > F8 6C 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025F1A6E6470, 16 bytes long.
Data: < ln _ > D0 6C 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025F1A6E63D0, 16 bytes long.
Data: <PRn _ > 50 52 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025F1A6E5250, 40 bytes long.
Data: < cn _ Un _ > D0 63 6E 1A 5F 02 00 00 D0 55 6E 1A 5F 02 00 00
{262} normal block at 0x0000025F1A6E6240, 16 bytes long.
Data: < ln _ > B0 6C 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025F1A6E5CA0, 16 bytes long.
Data: < ln _ > 88 6C 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025F1A6DFF40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000025F1A6E6100, 16 bytes long.
Data: <`ln _ > 60 6C 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025F1A6E6C60, 992 bytes long.
Data: < an _ @ m _ > 00 61 6E 1A 5F 02 00 00 40 FF 6D 1A 5F 02 00 00
{94} normal block at 0x0000025F1A6DFA00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000025F1A6DDE10, 16 bytes long.
Data: < Rn _ > C0 52 6E 1A 5F 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000025F1A6E52C0, 40 bytes long.
Data: < m _ m _ > 10 DE 6D 1A 5F 02 00 00 00 FA 6D 1A 5F 02 00 00
{71} normal block at 0x0000025F1A6DD7D0, 16 bytes long.
Data: < > 80 EA 10 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025F1A6DDB40, 16 bytes long.
Data: <@ > 40 E9 10 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025F1A6DD5A0, 16 bytes long.
Data: < W > F8 57 0D FC F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025F1A6DDB90, 16 bytes long.
Data: < W > D8 57 0D FC F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025F1A6DDAF0, 16 bytes long.
Data: <P > 50 04 0D FC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025F1A6DDD20, 16 bytes long.
Data: <0 > 30 04 0D FC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025F1A6DDBE0, 16 bytes long.
Data: < > E0 02 0D FC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025F1A6DDDC0, 16 bytes long.
Data: < > 10 04 0D FC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025F1A6DD4B0, 16 bytes long.
Data: <p > 70 04 0D FC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025F1A6DD820, 16 bytes long.
Data: < > 18 C0 0B FC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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