Task 38676277

Name test_424-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND0527_0
Workunit 31618204
Created 26 Oct 2026, 10:48:26 UTC
Sent 26 Oct 2026, 10:48:28 UTC
Report deadline 31 Oct 2026, 10:48:28 UTC
Received 26 Oct 2026, 11:16:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646261
Run time 19 min 34 sec
CPU time 18 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 39,048.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.18 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:56:31 (3044): wrapper (7.9.26016): starting
11:56:31 (3044): 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
11:56:32 (3044): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:56:32 (3044): 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\1\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\1\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
12:15:33 (3044): C:/Windows/system32/cmd.exe exited; CPU time 1135.937500
12:15:33 (3044): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 24242619 bytes.
Dumping objects ->
{3835519} normal block at 0x000001A51F9846A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000001A51F9838A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x000001A51F9845C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x000001A51F984080, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000001A51F984240, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x000001A51F982060, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835431} normal block at 0x000001A51DD1DE70, 8 bytes long.
 Data: <    &#165;   > 00 00 13 1E A5 01 00 00 
{3833967} normal block at 0x000001A51DD1DBA0, 8 bytes long.
 Data: <PZ&#176; &#165;   > 50 5A B0 1F A5 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001A51DD21AF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A51DD16DA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001A51DD26520, 16 bytes long.
 Data: <&#216;p&#210; &#165;           > D8 70 D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A51DD264D0, 16 bytes long.
 Data: <&#176;p&#210; &#165;           > B0 70 D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A51DD1F7E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001A51DD26C00, 16 bytes long.
 Data: < p&#210; &#165;           > 88 70 D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A51DD26480, 16 bytes long.
 Data: <`p&#210; &#165;           > 60 70 D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A51DD26110, 16 bytes long.
 Data: <8p&#210; &#165;           > 38 70 D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A51DD25F80, 16 bytes long.
 Data: < p&#210; &#165;           > 10 70 D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A51DD24610, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001A51DD25EE0, 16 bytes long.
 Data: < &#150;&#209; &#165;           > 88 96 D1 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A51DD20020, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001A51DD261B0, 16 bytes long.
 Data: <`&#150;&#209; &#165;           > 60 96 D1 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A51DD269D0, 16 bytes long.
 Data: <8&#150;&#209; &#165;           > 38 96 D1 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A51DD26430, 16 bytes long.
 Data: < &#150;&#209; &#165;           > 10 96 D1 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A51DD26980, 16 bytes long.
 Data: <&#232;&#149;&#209; &#165;           > E8 95 D1 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A51DD26160, 16 bytes long.
 Data: <&#192;&#149;&#209; &#165;           > C0 95 D1 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A51DD26BB0, 16 bytes long.
 Data: < &#149;&#209; &#165;           > 98 95 D1 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A51DD1FF00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001A51DD26CA0, 16 bytes long.
 Data: <p&#149;&#209; &#165;           > 70 95 D1 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A51DD19570, 320 bytes long.
 Data: <&#160;l&#210; &#165;    &#255;&#209; &#165;   > A0 6C D2 1D A5 01 00 00 00 FF D1 1D A5 01 00 00 
{279} normal block at 0x000001A51DD268E0, 16 bytes long.
 Data: <&#240;o&#210; &#165;           > F0 6F D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A51DD26C50, 16 bytes long.
 Data: <&#200;o&#210; &#165;           > C8 6F D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A51DD1FF60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001A51DD26840, 16 bytes long.
 Data: <&#160;o&#210; &#165;           > A0 6F D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A51DD1F9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001A51DD25F30, 16 bytes long.
 Data: <&#232;n&#210; &#165;           > E8 6E D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A51DD26660, 16 bytes long.
 Data: <&#192;n&#210; &#165;           > C0 6E D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A51DD26200, 16 bytes long.
 Data: < n&#210; &#165;           > 98 6E D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A51DD26B10, 16 bytes long.
 Data: <pn&#210; &#165;           > 70 6E D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A51DD26610, 16 bytes long.
 Data: <Hn&#210; &#165;           > 48 6E D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A51DD267F0, 16 bytes long.
 Data: < n&#210; &#165;           > 20 6E D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A51DD260C0, 16 bytes long.
 Data: <`@&#210; &#165;           > 60 40 D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A51DD24060, 40 bytes long.
 Data: <&#192;`&#210; &#165;   `   &#165;   > C0 60 D2 1D A5 01 00 00 60 20 98 1F A5 01 00 00 
{265} normal block at 0x000001A51DD26930, 16 bytes long.
 Data: < n&#210; &#165;           > 00 6E D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A51DD265C0, 16 bytes long.
 Data: <&#216;m&#210; &#165;           > D8 6D D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A51DD1F8A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001A51DD26070, 16 bytes long.
 Data: <&#176;m&#210; &#165;           > B0 6D D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A51DD26DB0, 992 bytes long.
 Data: <p`&#210; &#165;   &#160;&#248;&#209; &#165;   > 70 60 D2 1D A5 01 00 00 A0 F8 D1 1D A5 01 00 00 
{97} normal block at 0x000001A51DD1FB40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001A51DD1E280, 16 bytes long.
 Data: <@A&#210; &#165;           > 40 41 D2 1D A5 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001A51DD24140, 40 bytes long.
 Data: < &#226;&#209; &#165;   @&#251;&#209; &#165;   > 80 E2 D1 1D A5 01 00 00 40 FB D1 1D A5 01 00 00 
{74} normal block at 0x000001A51DD1DCE0, 16 bytes long.
 Data: < &#234;T&#146;&#246;           > 80 EA 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A51DD1E370, 16 bytes long.
 Data: <@&#233;T&#146;&#246;           > 40 E9 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A51DD1DEC0, 16 bytes long.
 Data: <&#248;WQ&#146;&#246;           > F8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A51DD1DB00, 16 bytes long.
 Data: <&#216;WQ&#146;&#246;           > D8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A51DD1E4B0, 16 bytes long.
 Data: <P Q&#146;&#246;           > 50 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A51DD1E190, 16 bytes long.
 Data: <0 Q&#146;&#246;           > 30 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A51DD1D8D0, 16 bytes long.
 Data: <&#224; Q&#146;&#246;           > E0 02 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A51DD1E000, 16 bytes long.
 Data: <  Q&#146;&#246;           > 10 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A51DD1E0A0, 16 bytes long.
 Data: <p Q&#146;&#246;           > 70 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A51DD1E690, 16 bytes long.
 Data: < &#192;O&#146;&#246;           > 18 C0 4F 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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