Task 38597025
| Name | BACE_A33_A30_r0_3-QUICO_ATM_GAFF2_NAGL_BACE-0-6-RND3074_0 |
| Workunit | 31552943 |
| Created | 8 Apr 2026, 7:39:19 UTC |
| Sent | 8 Apr 2026, 7:53:02 UTC |
| Report deadline | 13 Apr 2026, 7:53:02 UTC |
| Received | 8 Apr 2026, 10:12:37 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643393 |
| Run time | 44 min 37 sec |
| CPU time | 40 min 27 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,753.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 576.37 MB |
| Peak swap size | 3.79 GB |
| Peak disk usage | 4.00 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:57:58 (12348): wrapper (7.9.26016): starting
09:57:59 (12348): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A33_A30_0.pdb
QB_A33_A30_0.xml
QB_A33_A30.inpcrd
QB_A33_A30_input.yaml
QB_A33_A30.pdb
QB_A33_A30.prmtop
QB_A33_A30_sys.xml
run.bat
run.sh
09:58:01 (12348): Library/usr/bin/tar.exe exited; CPU time 0.046875
09:58:02 (12348): 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\9\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\9\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) : {3836773} normal block at 0x00000249EFAA95C0, 8 bytes long.
Data: < ; I > 00 00 3B F1 49 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x00000249F16F7110, 1080 bytes long.
Data: <p) > 70 29 00 00 CD CD CD CD 20 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000249EFAB4EA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:30:40 (16928): wrapper (7.9.26016): starting
11:30:40 (16928): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
12:11:21 (16928): C:/Windows/system32/cmd.exe exited; CPU time 2427.796875
12:11:21 (16928): app exit status: 0x16
12:11:21 (16928): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 32736278 bytes.
Dumping objects ->
{1572} normal block at 0x0000027C1DBBAFF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1561} normal block at 0x0000027C1DBBB5A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1550} normal block at 0x0000027C1DBBB6F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1539} normal block at 0x0000027C1DBBB0D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1528} normal block at 0x0000027C1DBBB060, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1497} normal block at 0x0000027C1DBBAA40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1486} normal block at 0x0000027C1DBBA970, 141 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) : {1483} normal block at 0x0000027C1DBC16F0, 8 bytes long.
Data: < U | > 00 00 55 1F 7C 02 00 00
{885} normal block at 0x0000027C1DBC0E60, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{303} normal block at 0x0000027C1DBC1FB0, 8 bytes long.
Data: <p* | > 70 2A BC 1D 7C 02 00 00
{294} normal block at 0x0000027C1DBA6BA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000027C1DBC17E0, 16 bytes long.
Data: <x) | > 78 29 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027C1DBC2000, 16 bytes long.
Data: <P) | > 50 29 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027C1DBB9A10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000027C1DBC1BA0, 16 bytes long.
Data: <() | > 28 29 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027C1DBC1F60, 16 bytes long.
Data: < ) | > 00 29 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000027C1DBC1F10, 16 bytes long.
Data: < ( | > D8 28 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027C1DBC1EC0, 16 bytes long.
Data: < ( | > B0 28 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027C1DBBB680, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000027C1DBC1B50, 16 bytes long.
Data: <(P | > 28 50 BA 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027C1DBB95F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000027C1DBC1920, 16 bytes long.
Data: < P | > 00 50 BA 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027C1DBC1330, 16 bytes long.
Data: < O | > D8 4F BA 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027C1DBC2050, 16 bytes long.
Data: < O | > B0 4F BA 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027C1DBC1E70, 16 bytes long.
Data: < O | > 88 4F BA 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027C1DBC1790, 16 bytes long.
Data: <`O | > 60 4F BA 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027C1DBC16A0, 16 bytes long.
Data: <8O | > 38 4F BA 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027C1DBB9EF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000027C1DBC1D80, 16 bytes long.
Data: < O | > 10 4F BA 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027C1DBA4F10, 320 bytes long.
Data: < | | > 80 1D BC 1D 7C 02 00 00 F0 9E BB 1D 7C 02 00 00
{273} normal block at 0x0000027C1DBC18D0, 16 bytes long.
Data: < ( | > 90 28 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027C1DBC1C90, 16 bytes long.
Data: <h( | > 68 28 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027C1DBB9C50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000027C1DBC1DD0, 16 bytes long.
Data: <@( | > 40 28 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027C1DBB9230, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000027C1DBC1B00, 16 bytes long.
Data: < ' | > 88 27 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027C1DBC1740, 16 bytes long.
Data: <`' | > 60 27 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027C1DBC1BF0, 16 bytes long.
Data: <8' | > 38 27 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027C1DBC1D30, 16 bytes long.
Data: < ' | > 10 27 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027C1DBC1AB0, 16 bytes long.
Data: < & | > E8 26 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027C1DBC13D0, 16 bytes long.
Data: < & | > C0 26 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027C1DBC1CE0, 16 bytes long.
Data: < | > C0 B4 BB 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027C1DBBB4C0, 40 bytes long.
Data: < | @ | > E0 1C BC 1D 7C 02 00 00 40 AA BB 1D 7C 02 00 00
{259} normal block at 0x0000027C1DBC1650, 16 bytes long.
Data: < & | > A0 26 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027C1DBC1E20, 16 bytes long.
Data: <x& | > 78 26 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000027C1DBB9470, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000027C1DBC1A10, 16 bytes long.
Data: <P& | > 50 26 BC 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000027C1DBC2650, 992 bytes long.
Data: < | p | > 10 1A BC 1D 7C 02 00 00 70 94 BB 1D 7C 02 00 00
{91} normal block at 0x0000027C1DBB98F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000027C1DBB6520, 16 bytes long.
Data: <0 | > 30 B5 BB 1D 7C 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000027C1DBBB530, 40 bytes long.
Data: < e | | > 20 65 BB 1D 7C 02 00 00 F0 98 BB 1D 7C 02 00 00
{68} normal block at 0x0000027C1DBB6DE0, 16 bytes long.
Data: < W > 80 EA B2 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027C1DBB67F0, 16 bytes long.
Data: <@ W > 40 E9 B2 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027C1DBB63E0, 16 bytes long.
Data: < W W > F8 57 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027C1DBB6D90, 16 bytes long.
Data: < W W > D8 57 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027C1DBB6D40, 16 bytes long.
Data: <P W > 50 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027C1DBB7290, 16 bytes long.
Data: <0 W > 30 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027C1DBB7100, 16 bytes long.
Data: < W > E0 02 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027C1DBB70B0, 16 bytes long.
Data: < W > 10 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027C1DBB6AC0, 16 bytes long.
Data: <p W > 70 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027C1DBB6B10, 16 bytes long.
Data: < W > 18 C0 AD 57 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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