Task 38648905

Name test_641-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND1874_0
Workunit 31593584
Created 23 Oct 2026, 20:54:59 UTC
Sent 24 Oct 2026, 3:10:10 UTC
Report deadline 29 Oct 2026, 3:10:10 UTC
Received 24 Oct 2026, 4:29:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654792
Run time 14 min 27 sec
CPU time 13 min 50 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 732.90 MB
Peak swap size 7.00 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:15:23 (31232): wrapper (7.9.26016): starting
06:15:23 (31232): 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
06:15:24 (31232): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:15:24 (31232): 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\8\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\8\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
06:29:37 (31232): C:/Windows/system32/cmd.exe exited; CPU time 830.156250
06:29:37 (31232): 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: 18461573 bytes.
Dumping objects ->
{3835581} normal block at 0x000001FF7E39D850, 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 0x000001FF7E39D550, 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 0x000001FF7C6C47E0, 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 0x000001FF7E39D150, 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 0x000001FF7E39D8D0, 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 0x000001FF7C6B5A80, 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 0x000001FF7C6BE7A0, 8 bytes long.
 Data: <  d|&#255;   > 00 00 64 7C FF 01 00 00 
{3833963} normal block at 0x000001FF7C6BE3E0, 8 bytes long.
 Data: <P&#216;j|&#255;   > 50 D8 6A 7C FF 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001FF7C6C05E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001FF7C6B5720, 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 0x000001FF7C6C5440, 16 bytes long.
 Data: <&#232;`l|&#255;           > E8 60 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FF7C6C5030, 16 bytes long.
 Data: <&#192;`l|&#255;           > C0 60 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FF7C6BF9D0, 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 0x000001FF7C6C5170, 16 bytes long.
 Data: < `l|&#255;           > 98 60 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FF7C6C5940, 16 bytes long.
 Data: <p`l|&#255;           > 70 60 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FF7C6C58F0, 16 bytes long.
 Data: <H`l|&#255;           > 48 60 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FF7C6C4F90, 16 bytes long.
 Data: < `l|&#255;           > 20 60 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FF7C6C4690, 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 0x000001FF7C6C59E0, 16 bytes long.
 Data: <&#168;Al|&#255;           > A8 41 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FF7C6BF490, 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 0x000001FF7C6C5CB0, 16 bytes long.
 Data: < Al|&#255;           > 80 41 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FF7C6C4EF0, 16 bytes long.
 Data: <XAl|&#255;           > 58 41 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FF7C6C5490, 16 bytes long.
 Data: <0Al|&#255;           > 30 41 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FF7C6C58A0, 16 bytes long.
 Data: < Al|&#255;           > 08 41 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FF7C6C4E00, 16 bytes long.
 Data: <&#224;@l|&#255;           > E0 40 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FF7C6C5D50, 16 bytes long.
 Data: <&#184;@l|&#255;           > B8 40 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FF7C6BF370, 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 0x000001FF7C6C5850, 16 bytes long.
 Data: < @l|&#255;           > 90 40 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FF7C6C4090, 320 bytes long.
 Data: <PXl|&#255;   p&#243;k|&#255;   > 50 58 6C 7C FF 01 00 00 70 F3 6B 7C FF 01 00 00 
{277} normal block at 0x000001FF7C6C5710, 16 bytes long.
 Data: < `l|&#255;           > 00 60 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FF7C6C50D0, 16 bytes long.
 Data: <&#216;_l|&#255;           > D8 5F 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FF7C6BF5B0, 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 0x000001FF7C6C5B20, 16 bytes long.
 Data: <&#176;_l|&#255;           > B0 5F 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FF7C6BF910, 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 0x000001FF7C6C5BC0, 16 bytes long.
 Data: <&#248;^l|&#255;           > F8 5E 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FF7C6C5350, 16 bytes long.
 Data: <&#208;^l|&#255;           > D0 5E 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FF7C6C4F40, 16 bytes long.
 Data: <&#168;^l|&#255;           > A8 5E 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FF7C6C5800, 16 bytes long.
 Data: < ^l|&#255;           > 80 5E 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FF7C6C5C10, 16 bytes long.
 Data: <X^l|&#255;           > 58 5E 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FF7C6C5580, 16 bytes long.
 Data: <0^l|&#255;           > 30 5E 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FF7C6C56C0, 16 bytes long.
 Data: < Jl|&#255;           > 10 4A 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FF7C6C4A10, 40 bytes long.
 Data: <&#192;Vl|&#255;    Zk|&#255;   > C0 56 6C 7C FF 01 00 00 80 5A 6B 7C FF 01 00 00 
{263} normal block at 0x000001FF7C6C5670, 16 bytes long.
 Data: < ^l|&#255;           > 10 5E 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FF7C6C5530, 16 bytes long.
 Data: <&#232;]l|&#255;           > E8 5D 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FF7C6BFE50, 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 0x000001FF7C6C53F0, 16 bytes long.
 Data: <&#192;]l|&#255;           > C0 5D 6C 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FF7C6C5DC0, 992 bytes long.
 Data: <&#240;Sl|&#255;   P&#254;k|&#255;   > F0 53 6C 7C FF 01 00 00 50 FE 6B 7C FF 01 00 00 
{95} normal block at 0x000001FF7C6BFF10, 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 0x000001FF7C6BE6B0, 16 bytes long.
 Data: < &#221;j|&#255;           > 80 DD 6A 7C FF 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001FF7C6ADD80, 40 bytes long.
 Data: <&#176;&#230;k|&#255;    &#255;k|&#255;   > B0 E6 6B 7C FF 01 00 00 10 FF 6B 7C FF 01 00 00 
{72} normal block at 0x000001FF7C6BEAC0, 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 0x000001FF7C6BE520, 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 0x000001FF7C6BE4D0, 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 0x000001FF7C6BED40, 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 0x000001FF7C6BECF0, 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 0x000001FF7C6BE250, 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 0x000001FF7C6BE1B0, 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 0x000001FF7C6BECA0, 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 0x000001FF7C6BEB10, 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 0x000001FF7C6BE0C0, 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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