Task 38686603

Name test_729-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND7950_0
Workunit 31628029
Created 28 Oct 2026, 3:26:28 UTC
Sent 28 Oct 2026, 3:26:36 UTC
Report deadline 2 Nov 2026, 3:26:36 UTC
Received 28 Oct 2026, 8:41:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653191
Run time 24 min 2 sec
CPU time 21 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.61 MB
Peak swap size 6.93 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:18:26 (19684): wrapper (7.9.26016): starting
09:18:26 (19684): 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
09:18:27 (19684): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:18:27 (19684): 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\3\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\3\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
09:41:19 (19684): C:/Windows/system32/cmd.exe exited; CPU time 1304.921875
09:41:19 (19684): 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: 23468759 bytes.
Dumping objects ->
{3835601} normal block at 0x00000203B25BC880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x00000203B25BCC00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835579} normal block at 0x00000203B25BCAB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835568} normal block at 0x00000203B25BC730, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835557} normal block at 0x00000203B0894300, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835526} normal block at 0x00000203B260A6A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x00000203B261E1B0, 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) : {3835512} normal block at 0x00000203B088F100, 8 bytes long.
 Data: <  &#217;&#176;    > 00 00 D9 B0 03 02 00 00 
{3834713} normal block at 0x00000203B261E940, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000203B088E700, 8 bytes long.
 Data: <p7f     > 70 37 66 B2 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000203B0890B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000203B087F180, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000203B08951C0, 16 bytes long.
 Data: < c&#137;&#176;            > 88 63 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000203B0894EF0, 16 bytes long.
 Data: <`c&#137;&#176;            > 60 63 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000203B088FDA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000203B0895C10, 16 bytes long.
 Data: <8c&#137;&#176;            > 38 63 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000203B0895530, 16 bytes long.
 Data: < c&#137;&#176;            > 10 63 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000203B08952B0, 16 bytes long.
 Data: <&#232;b&#137;&#176;            > E8 62 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000203B0895620, 16 bytes long.
 Data: <&#192;b&#137;&#176;            > C0 62 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000203B08944C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000203B0895210, 16 bytes long.
 Data: < &#181;&#135;&#176;            > 18 B5 87 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000203B088FF20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000203B08958A0, 16 bytes long.
 Data: <&#240;&#180;&#135;&#176;            > F0 B4 87 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000203B08953A0, 16 bytes long.
 Data: <&#200;&#180;&#135;&#176;            > C8 B4 87 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000203B0895800, 16 bytes long.
 Data: <&#160;&#180;&#135;&#176;            > A0 B4 87 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000203B08956C0, 16 bytes long.
 Data: <x&#180;&#135;&#176;            > 78 B4 87 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000203B0895DA0, 16 bytes long.
 Data: <P&#180;&#135;&#176;            > 50 B4 87 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000203B0895B70, 16 bytes long.
 Data: <(&#180;&#135;&#176;            > 28 B4 87 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000203B088FB00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000203B08950D0, 16 bytes long.
 Data: < &#180;&#135;&#176;            > 00 B4 87 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000203B087B400, 320 bytes long.
 Data: <&#208;P&#137;&#176;     &#251; &#176;    > D0 50 89 B0 03 02 00 00 00 FB 88 B0 03 02 00 00 
{276} normal block at 0x00000203B0895990, 16 bytes long.
 Data: <&#160;b&#137;&#176;            > A0 62 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000203B08958F0, 16 bytes long.
 Data: <xb&#137;&#176;            > 78 62 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000203B088FE00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000203B0895490, 16 bytes long.
 Data: <Pb&#137;&#176;            > 50 62 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000203B088FFE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000203B0895BC0, 16 bytes long.
 Data: < a&#137;&#176;            > 98 61 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000203B0895120, 16 bytes long.
 Data: <pa&#137;&#176;            > 70 61 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000203B0895AD0, 16 bytes long.
 Data: <Ha&#137;&#176;            > 48 61 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000203B0895B20, 16 bytes long.
 Data: < a&#137;&#176;            > 20 61 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000203B0894FE0, 16 bytes long.
 Data: <&#248;`&#137;&#176;            > F8 60 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000203B08957B0, 16 bytes long.
 Data: <&#208;`&#137;&#176;            > D0 60 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000203B0895760, 16 bytes long.
 Data: <0E&#137;&#176;            > 30 45 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000203B0894530, 40 bytes long.
 Data: <`W&#137;&#176;    &#160;&#166;`     > 60 57 89 B0 03 02 00 00 A0 A6 60 B2 03 02 00 00 
{262} normal block at 0x00000203B0895C60, 16 bytes long.
 Data: <&#176;`&#137;&#176;            > B0 60 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000203B0895A80, 16 bytes long.
 Data: < `&#137;&#176;            > 88 60 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000203B088F7A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000203B0895D50, 16 bytes long.
 Data: <``&#137;&#176;            > 60 60 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000203B0896060, 992 bytes long.
 Data: <P]&#137;&#176;    &#160;&#247; &#176;    > 50 5D 89 B0 03 02 00 00 A0 F7 88 B0 03 02 00 00 
{94} normal block at 0x00000203B088FAA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000203B088E2A0, 16 bytes long.
 Data: < B&#137;&#176;            > 20 42 89 B0 03 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000203B0894220, 40 bytes long.
 Data: <&#160;&#226; &#176;    &#160;&#250; &#176;    > A0 E2 88 B0 03 02 00 00 A0 FA 88 B0 03 02 00 00 
{71} normal block at 0x00000203B088E6B0, 16 bytes long.
 Data: < &#234;8 &#246;           > 80 EA 38 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000203B088E9D0, 16 bytes long.
 Data: <@&#233;8 &#246;           > 40 E9 38 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000203B088E250, 16 bytes long.
 Data: <&#248;W5 &#246;           > F8 57 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000203B088EC00, 16 bytes long.
 Data: <&#216;W5 &#246;           > D8 57 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000203B088E930, 16 bytes long.
 Data: <P 5 &#246;           > 50 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000203B088F0B0, 16 bytes long.
 Data: <0 5 &#246;           > 30 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000203B088F060, 16 bytes long.
 Data: <&#224; 5 &#246;           > E0 02 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000203B088EF20, 16 bytes long.
 Data: <  5 &#246;           > 10 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000203B088E2F0, 16 bytes long.
 Data: <p 5 &#246;           > 70 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000203B088EE80, 16 bytes long.
 Data: < &#192;3 &#246;           > 18 C0 33 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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