Task 38682332

Name test_576-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2796_0
Workunit 31623952
Created 27 Oct 2026, 7:23:08 UTC
Sent 27 Oct 2026, 7:23:12 UTC
Report deadline 1 Nov 2026, 7:23:12 UTC
Received 27 Oct 2026, 8:01:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 27 sec
CPU time 36 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.55 MB
Peak swap size 6.85 GB
Peak disk usage 3.68 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:24:22 (13732): wrapper (7.9.26016): starting
08:24:22 (13732): 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
08:24:23 (13732): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:24:23 (13732): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
09:00:51 (13732): C:/Windows/system32/cmd.exe exited; CPU time 2196.359375
09:00:51 (13732): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 26560851 bytes.
Dumping objects ->
{3835238} normal block at 0x00000280D82414F0, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x00000280D8240FB0, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x00000280D8240ED0, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x00000280D8240BC0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x00000280D8240A70, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x00000280D82ECA10, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x00000280D67CBD30, 160 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) : {3835149} normal block at 0x00000280D6777040, 8 bytes long.
 Data: <  t&#214;    > 00 00 74 D6 80 02 00 00 
{3834546} normal block at 0x00000280D67CC6D0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000280D6776D20, 8 bytes long.
 Data: <&#224;['&#216;    > E0 5B 27 D8 80 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000280D6782040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000280D67661F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000280D6783300, 16 bytes long.
 Data: <&#184;Cx&#214;            > B8 43 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000280D6783210, 16 bytes long.
 Data: < Cx&#214;            > 90 43 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000280D677BA90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000280D6783170, 16 bytes long.
 Data: <hCx&#214;            > 68 43 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000280D67831C0, 16 bytes long.
 Data: <@Cx&#214;            > 40 43 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000280D67833F0, 16 bytes long.
 Data: < Cx&#214;            > 18 43 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000280D67830D0, 16 bytes long.
 Data: <&#240;Bx&#214;            > F0 42 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000280D677DFE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000280D6783FD0, 16 bytes long.
 Data: < av&#214;            > 88 61 76 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000280D677C450, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000280D6783D50, 16 bytes long.
 Data: <`av&#214;            > 60 61 76 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000280D6783DF0, 16 bytes long.
 Data: <8av&#214;            > 38 61 76 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000280D6783710, 16 bytes long.
 Data: < av&#214;            > 10 61 76 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000280D6783D00, 16 bytes long.
 Data: <&#232;`v&#214;            > E8 60 76 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000280D6783A80, 16 bytes long.
 Data: <&#192;`v&#214;            > C0 60 76 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000280D6783CB0, 16 bytes long.
 Data: < `v&#214;            > 98 60 76 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000280D677C6F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000280D67838F0, 16 bytes long.
 Data: <p`v&#214;            > 70 60 76 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000280D6766070, 320 bytes long.
 Data: <&#240;8x&#214;    &#240;&#198;w&#214;    > F0 38 78 D6 80 02 00 00 F0 C6 77 D6 80 02 00 00 
{270} normal block at 0x00000280D6784020, 16 bytes long.
 Data: <&#208;Bx&#214;            > D0 42 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000280D67839E0, 16 bytes long.
 Data: <&#168;Bx&#214;            > A8 42 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000280D677C1B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000280D6783EE0, 16 bytes long.
 Data: < Bx&#214;            > 80 42 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000280D677C330, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000280D6783620, 16 bytes long.
 Data: <&#200;Ax&#214;            > C8 41 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000280D67837B0, 16 bytes long.
 Data: <&#160;Ax&#214;            > A0 41 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000280D6783A30, 16 bytes long.
 Data: <xAx&#214;            > 78 41 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000280D67838A0, 16 bytes long.
 Data: <PAx&#214;            > 50 41 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000280D6783E40, 16 bytes long.
 Data: <(Ax&#214;            > 28 41 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000280D67832B0, 16 bytes long.
 Data: < Ax&#214;            > 00 41 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000280D6783DA0, 16 bytes long.
 Data: <0&#225;w&#214;            > 30 E1 77 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000280D677E130, 40 bytes long.
 Data: <&#160;=x&#214;     &#202;.&#216;    > A0 3D 78 D6 80 02 00 00 10 CA 2E D8 80 02 00 00 
{256} normal block at 0x00000280D6783850, 16 bytes long.
 Data: <&#224;@x&#214;            > E0 40 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000280D6783C10, 16 bytes long.
 Data: <&#184;@x&#214;            > B8 40 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000280D677BB50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000280D6783990, 16 bytes long.
 Data: < @x&#214;            > 90 40 78 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000280D6784090, 992 bytes long.
 Data: < 9x&#214;    P&#187;w&#214;    > 90 39 78 D6 80 02 00 00 50 BB 77 D6 80 02 00 00 
{88} normal block at 0x00000280D677C3F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000280D6776FA0, 16 bytes long.
 Data: < &#223;w&#214;            > 00 DF 77 D6 80 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000280D677DF00, 40 bytes long.
 Data: <&#160;ow&#214;    &#240;&#195;w&#214;    > A0 6F 77 D6 80 02 00 00 F0 C3 77 D6 80 02 00 00 
{65} normal block at 0x00000280D6776C80, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000280D67772C0, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000280D67771D0, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000280D6777810, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000280D6777220, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000280D6777860, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000280D6776FF0, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000280D6777720, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000280D6776F00, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000280D6776EB0, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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