Task 38652824

Name test_598-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND4427_1
Workunit 31596816
Created 24 Oct 2026, 4:35:33 UTC
Sent 24 Oct 2026, 4:45:45 UTC
Report deadline 29 Oct 2026, 4:45:45 UTC
Received 24 Oct 2026, 5:20:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654792
Run time 17 min 42 sec
CPU time 16 min 51 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 731.34 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>
07:02:20 (32384): wrapper (7.9.26016): starting
07:02:20 (32384): 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
07:02:21 (32384): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:02:21 (32384): 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
07:20:00 (32384): C:/Windows/system32/cmd.exe exited; CPU time 1011.343750
07:20:00 (32384): 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: 22950821 bytes.
Dumping objects ->
{3835581} normal block at 0x0000021F8288AE70, 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 0x0000021F8288BAF0, 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 0x0000021F80A85860, 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 0x0000021F8288BEF0, 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 0x0000021F8288C7F0, 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 0x0000021F80A6EDE0, 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 0x0000021F80A7F7D0, 8 bytes long.
 Data: <  &#251;     > 00 00 FB 80 1F 02 00 00 
{3833963} normal block at 0x0000021F80A7F910, 8 bytes long.
 Data: <@E&#142;&#130;    > 40 45 8E 82 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021F80A814D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021F80A6F9B0, 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 0x0000021F80A864A0, 16 bytes long.
 Data: <&#232;q&#168;             > E8 71 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021F80A86C20, 16 bytes long.
 Data: <&#192;q&#168;             > C0 71 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021F80A80560, 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 0x0000021F80A86770, 16 bytes long.
 Data: < q&#168;             > 98 71 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021F80A86E00, 16 bytes long.
 Data: <pq&#168;             > 70 71 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021F80A86450, 16 bytes long.
 Data: <Hq&#168;             > 48 71 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021F80A86360, 16 bytes long.
 Data: < q&#168;             > 20 71 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021F80A85BE0, 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 0x0000021F80A86220, 16 bytes long.
 Data: <XT&#168;             > 58 54 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021F80A80500, 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 0x0000021F80A861D0, 16 bytes long.
 Data: <0T&#168;             > 30 54 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021F80A86310, 16 bytes long.
 Data: < T&#168;             > 08 54 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021F80A86A90, 16 bytes long.
 Data: <&#224;S&#168;             > E0 53 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021F80A86270, 16 bytes long.
 Data: <&#184;S&#168;             > B8 53 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021F80A86630, 16 bytes long.
 Data: < S&#168;             > 90 53 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021F80A860E0, 16 bytes long.
 Data: <hS&#168;             > 68 53 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021F80A80BC0, 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 0x0000021F80A86680, 16 bytes long.
 Data: <@S&#168;             > 40 53 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021F80A85340, 320 bytes long.
 Data: < f&#168;     &#192; &#168;     > 80 66 A8 80 1F 02 00 00 C0 0B A8 80 1F 02 00 00 
{277} normal block at 0x0000021F80A862C0, 16 bytes long.
 Data: < q&#168;             > 00 71 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021F80A86180, 16 bytes long.
 Data: <&#216;p&#168;             > D8 70 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021F80A80440, 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 0x0000021F80A86400, 16 bytes long.
 Data: <&#176;p&#168;             > B0 70 A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021F80A80F20, 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 0x0000021F80A86130, 16 bytes long.
 Data: <&#248;o&#168;             > F8 6F A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021F80A86DB0, 16 bytes long.
 Data: <&#208;o&#168;             > D0 6F A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021F80A86E50, 16 bytes long.
 Data: <&#168;o&#168;             > A8 6F A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021F80A86A40, 16 bytes long.
 Data: < o&#168;             > 80 6F A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021F80A86D60, 16 bytes long.
 Data: <Xo&#168;             > 58 6F A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021F80A86B30, 16 bytes long.
 Data: <0o&#168;             > 30 6F A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021F80A867C0, 16 bytes long.
 Data: <p[&#168;             > 70 5B A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021F80A85B70, 40 bytes long.
 Data: <&#192;g&#168;     &#224;&#237;&#166;     > C0 67 A8 80 1F 02 00 00 E0 ED A6 80 1F 02 00 00 
{263} normal block at 0x0000021F80A869F0, 16 bytes long.
 Data: < o&#168;             > 10 6F A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021F80A86720, 16 bytes long.
 Data: <&#232;n&#168;             > E8 6E A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021F80A804A0, 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 0x0000021F80A86C70, 16 bytes long.
 Data: <&#192;n&#168;             > C0 6E A8 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021F80A86EC0, 992 bytes long.
 Data: <pl&#168;     &#160; &#168;     > 70 6C A8 80 1F 02 00 00 A0 04 A8 80 1F 02 00 00 
{95} normal block at 0x0000021F80A806E0, 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 0x0000021F80A7FB40, 16 bytes long.
 Data: <&#192;&#199;&#166;             > C0 C7 A6 80 1F 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000021F80A6C7C0, 40 bytes long.
 Data: <@&#251;&#167;     &#224; &#168;     > 40 FB A7 80 1F 02 00 00 E0 06 A8 80 1F 02 00 00 
{72} normal block at 0x0000021F80A7F5F0, 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 0x0000021F80A80220, 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 0x0000021F80A80180, 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 0x0000021F80A7F730, 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 0x0000021F80A7F8C0, 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 0x0000021F80A7FAA0, 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 0x0000021F80A7F9B0, 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 0x0000021F80A7F870, 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 0x0000021F80A80090, 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 0x0000021F80A801D0, 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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