Task 38652830

Name test_870-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND2021_0
Workunit 31596919
Created 24 Oct 2026, 4:35:41 UTC
Sent 24 Oct 2026, 4:45:45 UTC
Report deadline 29 Oct 2026, 4:45:45 UTC
Received 24 Oct 2026, 5:38:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654792
Run time 17 min 6 sec
CPU time 16 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.07 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:21:58 (17272): wrapper (7.9.26016): starting
07:21:58 (17272): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
07:21:59 (17272): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:21:59 (17272): 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 'F:\Festplattenpogramme\Boinc\Boincy\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 'F:\Festplattenpogramme\Boinc\Boincy\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.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
07:38:37 (17272): C:/Windows/system32/cmd.exe exited; CPU time 964.093750
07:38:37 (17272): called boinc_finish(0)
0 bytes in 0 Free Blocks.
336 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: 22024713 bytes.
Dumping objects ->
{3835581} normal block at 0x0000028B47EFD5D0, 64 bytes long.
 Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{3835570} normal block at 0x0000028B47EFD450, 64 bytes long.
 Data: <HOME=F:\Festplat> 48 4F 4D 45 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{3835559} normal block at 0x0000028B46384A10, 48 bytes long.
 Data: <TMP=F:\Festplatt> 54 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 74 
{3835548} normal block at 0x0000028B47EFD350, 64 bytes long.
 Data: <TEMP=F:\Festplat> 54 45 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{3835537} normal block at 0x0000028B47EFCAD0, 64 bytes long.
 Data: <TMPDIR=F:\Festpl> 54 4D 50 44 49 52 3D 46 3A 5C 46 65 73 74 70 6C 
{3835506} normal block at 0x0000028B463757B0, 80 bytes long.
 Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
..\api\boinc_api.cpp(309) : {3835493} normal block at 0x0000028B4637EE80, 8 bytes long.
 Data: <   F&#139;   > 00 00 81 46 8B 02 00 00 
{3833963} normal block at 0x0000028B4637E110, 8 bytes long.
 Data: <P&#216;6F&#139;   > 50 D8 36 46 8B 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000028B463805E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000028B46375BA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000028B46385A80, 16 bytes long.
 Data: <&#232;`8F&#139;           > E8 60 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000028B463858A0, 16 bytes long.
 Data: <&#192;`8F&#139;           > C0 60 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028B4637FA90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000028B46385120, 16 bytes long.
 Data: < `8F&#139;           > 98 60 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028B46385D50, 16 bytes long.
 Data: <p`8F&#139;           > 70 60 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028B46385030, 16 bytes long.
 Data: <H`8F&#139;           > 48 60 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028B463852B0, 16 bytes long.
 Data: < `8F&#139;           > 20 60 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028B463847E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000028B46384EA0, 16 bytes long.
 Data: <&#168;A8F&#139;           > A8 41 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028B4637FDF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000028B46385CB0, 16 bytes long.
 Data: < A8F&#139;           > 80 41 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028B46385170, 16 bytes long.
 Data: <XA8F&#139;           > 58 41 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028B46385350, 16 bytes long.
 Data: <0A8F&#139;           > 30 41 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028B46385AD0, 16 bytes long.
 Data: < A8F&#139;           > 08 41 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028B46385D00, 16 bytes long.
 Data: <&#224;@8F&#139;           > E0 40 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028B46385A30, 16 bytes long.
 Data: <&#184;@8F&#139;           > B8 40 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028B4637F370, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000028B463859E0, 16 bytes long.
 Data: < @8F&#139;           > 90 40 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028B46384090, 320 bytes long.
 Data: <&#224;Y8F&#139;   p&#243;7F&#139;   > E0 59 38 46 8B 02 00 00 70 F3 37 46 8B 02 00 00 
{277} normal block at 0x0000028B463856C0, 16 bytes long.
 Data: < `8F&#139;           > 00 60 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028B46385850, 16 bytes long.
 Data: <&#216;_8F&#139;           > D8 5F 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028B4637FA30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000028B463850D0, 16 bytes long.
 Data: <&#176;_8F&#139;           > B0 5F 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028B4637F850, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000028B46385C60, 16 bytes long.
 Data: <&#248;^8F&#139;           > F8 5E 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028B46385940, 16 bytes long.
 Data: <&#208;^8F&#139;           > D0 5E 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028B46385080, 16 bytes long.
 Data: <&#168;^8F&#139;           > A8 5E 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028B463853A0, 16 bytes long.
 Data: < ^8F&#139;           > 80 5E 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028B463851C0, 16 bytes long.
 Data: <X^8F&#139;           > 58 5E 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028B46385990, 16 bytes long.
 Data: <0^8F&#139;           > 30 5E 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028B46384E00, 16 bytes long.
 Data: <&#208;D8F&#139;           > D0 44 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028B463844D0, 40 bytes long.
 Data: < N8F&#139;   &#176;W7F&#139;   > 00 4E 38 46 8B 02 00 00 B0 57 37 46 8B 02 00 00 
{263} normal block at 0x0000028B46385800, 16 bytes long.
 Data: < ^8F&#139;           > 10 5E 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028B463858F0, 16 bytes long.
 Data: <&#232;]8F&#139;           > E8 5D 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028B4637FD90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000028B46384FE0, 16 bytes long.
 Data: <&#192;]8F&#139;           > C0 5D 38 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028B46385DC0, 992 bytes long.
 Data: <&#224;O8F&#139;    &#253;7F&#139;   > E0 4F 38 46 8B 02 00 00 90 FD 37 46 8B 02 00 00 
{95} normal block at 0x0000028B4637F910, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000028B4637E610, 16 bytes long.
 Data: < &#221;6F&#139;           > 80 DD 36 46 8B 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000028B4636DD80, 40 bytes long.
 Data: < &#230;7F&#139;    &#249;7F&#139;   > 10 E6 37 46 8B 02 00 00 10 F9 37 46 8B 02 00 00 
{72} normal block at 0x0000028B4637E1B0, 16 bytes long.
 Data: < &#234; &#192;&#246;           > 80 EA 08 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000028B4637EF70, 16 bytes long.
 Data: <@&#233; &#192;&#246;           > 40 E9 08 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028B4637E5C0, 16 bytes long.
 Data: <&#248;W &#192;&#246;           > F8 57 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028B4637EB10, 16 bytes long.
 Data: <&#216;W &#192;&#246;           > D8 57 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028B4637E2F0, 16 bytes long.
 Data: <P  &#192;&#246;           > 50 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028B4637E700, 16 bytes long.
 Data: <0  &#192;&#246;           > 30 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028B4637ECF0, 16 bytes long.
 Data: <&#224;  &#192;&#246;           > E0 02 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028B4637EB60, 16 bytes long.
 Data: <   &#192;&#246;           > 10 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028B4637E200, 16 bytes long.
 Data: <p  &#192;&#246;           > 70 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028B4637E3E0, 16 bytes long.
 Data: < &#192; &#192;&#246;           > 18 C0 03 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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