Task 38681153

Name test_969-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND2052_0
Workunit 31622834
Created 27 Oct 2026, 2:55:30 UTC
Sent 27 Oct 2026, 2:55:35 UTC
Report deadline 1 Nov 2026, 2:55:35 UTC
Received 27 Oct 2026, 3:22:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 26 min 13 sec
CPU time 24 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.27 MB
Peak swap size 6.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
22:56:45 (22236): wrapper (7.9.26016): starting
22:56:45 (22236): 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
22:56:46 (22236): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:56:46 (22236): 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\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 'C:\ProgramData\BOINC\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: Exiting with failure status due to previous errors
23:22:05 (22236): C:/Windows/system32/cmd.exe exited; CPU time 1491.593750
23:22:05 (22236): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 26810229 bytes.
Dumping objects ->
{3835542} normal block at 0x00000215A3936880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x00000215A3936420, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x00000215A3936810, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x00000215A3936730, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x00000215A3936500, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x00000215A56CAC70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x00000215A56DF100, 102 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) : {3835453} normal block at 0x00000215A392D6A0, 8 bytes long.
 Data: <  &#230;&#163;    > 00 00 E6 A3 15 02 00 00 
{3834690} normal block at 0x00000215A56DEA20, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000215A392D9C0, 8 bytes long.
 Data: <0&#224;m&#165;    > 30 E0 6D A5 15 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000215A39311D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000215A3926070, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000215A3935860, 16 bytes long.
 Data: <&#168;`&#147;&#163;            > A8 60 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000215A3935770, 16 bytes long.
 Data: < `&#147;&#163;            > 80 60 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000215A392F330, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000215A3935130, 16 bytes long.
 Data: <X`&#147;&#163;            > 58 60 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000215A39355E0, 16 bytes long.
 Data: <0`&#147;&#163;            > 30 60 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000215A39353B0, 16 bytes long.
 Data: < `&#147;&#163;            > 08 60 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000215A39359F0, 16 bytes long.
 Data: <&#224;_&#147;&#163;            > E0 5F 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000215A3936260, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000215A3935220, 16 bytes long.
 Data: <  &#146;&#163;            > 08 8F 92 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000215A392F390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000215A3935C20, 16 bytes long.
 Data: <&#224;&#142;&#146;&#163;            > E0 8E 92 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000215A39351D0, 16 bytes long.
 Data: <&#184;&#142;&#146;&#163;            > B8 8E 92 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000215A3935540, 16 bytes long.
 Data: < &#142;&#146;&#163;            > 90 8E 92 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000215A3935A90, 16 bytes long.
 Data: <h&#142;&#146;&#163;            > 68 8E 92 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000215A39352C0, 16 bytes long.
 Data: <@&#142;&#146;&#163;            > 40 8E 92 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000215A39354F0, 16 bytes long.
 Data: < &#142;&#146;&#163;            > 18 8E 92 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000215A392FB10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000215A39354A0, 16 bytes long.
 Data: <&#240; &#146;&#163;            > F0 8D 92 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000215A3928DF0, 320 bytes long.
 Data: <&#160;T&#147;&#163;     &#251;&#146;&#163;    > A0 54 93 A3 15 02 00 00 10 FB 92 A3 15 02 00 00 
{275} normal block at 0x00000215A3935C70, 16 bytes long.
 Data: <&#192;_&#147;&#163;            > C0 5F 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000215A3935AE0, 16 bytes long.
 Data: < _&#147;&#163;            > 98 5F 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000215A392F150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000215A3935360, 16 bytes long.
 Data: <p_&#147;&#163;            > 70 5F 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000215A392FDB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000215A3934E60, 16 bytes long.
 Data: <&#184;^&#147;&#163;            > B8 5E 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000215A39350E0, 16 bytes long.
 Data: < ^&#147;&#163;            > 90 5E 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000215A3935450, 16 bytes long.
 Data: <h^&#147;&#163;            > 68 5E 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000215A3935BD0, 16 bytes long.
 Data: <@^&#147;&#163;            > 40 5E 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000215A39356D0, 16 bytes long.
 Data: < ^&#147;&#163;            > 18 5E 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000215A3935810, 16 bytes long.
 Data: <&#240;]&#147;&#163;            > F0 5D 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000215A3935310, 16 bytes long.
 Data: < &#228;&#145;&#163;            > 90 E4 91 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000215A391E490, 40 bytes long.
 Data: < S&#147;&#163;    p&#172;l&#165;    > 10 53 93 A3 15 02 00 00 70 AC 6C A5 15 02 00 00 
{261} normal block at 0x00000215A3935720, 16 bytes long.
 Data: <&#208;]&#147;&#163;            > D0 5D 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000215A3935090, 16 bytes long.
 Data: <&#168;]&#147;&#163;            > A8 5D 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000215A392F030, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000215A3935400, 16 bytes long.
 Data: < ]&#147;&#163;            > 80 5D 93 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000215A3935D80, 992 bytes long.
 Data: < T&#147;&#163;    0&#240;&#146;&#163;    > 00 54 93 A3 15 02 00 00 30 F0 92 A3 15 02 00 00 
{93} normal block at 0x00000215A392F0F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000215A392D2E0, 16 bytes long.
 Data: <&#160;&#221;&#145;&#163;            > A0 DD 91 A3 15 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000215A391DDA0, 40 bytes long.
 Data: <&#224;&#210;&#146;&#163;    &#240;&#240;&#146;&#163;    > E0 D2 92 A3 15 02 00 00 F0 F0 92 A3 15 02 00 00 
{70} normal block at 0x00000215A392DC90, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000215A392D380, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000215A392DBA0, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000215A392D920, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000215A392D880, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000215A392DC40, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000215A392DAB0, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000215A392D060, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000215A392DE70, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000215A392D290, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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