Task 38670086

Name test_288-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8924_1
Workunit 31612350
Created 25 Oct 2026, 16:26:53 UTC
Sent 25 Oct 2026, 16:26:59 UTC
Report deadline 30 Oct 2026, 16:26:59 UTC
Received 25 Oct 2026, 16:47:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624458
Run time 19 min 56 sec
CPU time 19 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,355.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.89 MB
Peak swap size 13.02 GB
Peak disk usage 4.17 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:27:49 (3692): wrapper (7.9.26016): starting
12:27:49 (3692): 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
12:27:50 (3692): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:27:50 (3692): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
12:47:01 (3692): C:/Windows/system32/cmd.exe exited; CPU time 1160.015625
12:47:01 (3692): 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: 16502137 bytes.
Dumping objects ->
{3835562} normal block at 0x0000025EE3E8ACC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835551} normal block at 0x0000025EE3E8B430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x0000025EE3E8B190, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835529} normal block at 0x0000025EE3E8B820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835518} normal block at 0x0000025EE3E8B580, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835487} normal block at 0x0000025EE3E8A560, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x0000025EE5BCE7D0, 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) : {3835473} normal block at 0x0000025EE3E5EE00, 8 bytes long.
 Data: <  &#224;&#227;^   > 00 00 E0 E3 5E 02 00 00 
{3834695} normal block at 0x0000025EE5BCECA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000025EE3E5ED60, 8 bytes long.
 Data: <&#208;H&#193;&#229;^   > D0 48 C1 E5 5E 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000025EE3E61140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025EE3E56520, 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 0x0000025EE3E65910, 16 bytes long.
 Data: <&#200;W&#230;&#227;^           > C8 57 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025EE3E66630, 16 bytes long.
 Data: <&#160;W&#230;&#227;^           > A0 57 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025EE3E5FC50, 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 0x0000025EE3E66360, 16 bytes long.
 Data: <xW&#230;&#227;^           > 78 57 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025EE3E66040, 16 bytes long.
 Data: <PW&#230;&#227;^           > 50 57 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025EE3E65F00, 16 bytes long.
 Data: <(W&#230;&#227;^           > 28 57 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025EE3E65AF0, 16 bytes long.
 Data: < W&#230;&#227;^           > 00 57 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025EE3E63980, 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 0x0000025EE3E65E60, 16 bytes long.
 Data: <&#232;&#182;&#228;&#227;^           > E8 B6 E4 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025EE3E5FBF0, 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 0x0000025EE3E66770, 16 bytes long.
 Data: <&#192;&#182;&#228;&#227;^           > C0 B6 E4 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025EE3E65AA0, 16 bytes long.
 Data: < &#182;&#228;&#227;^           > 98 B6 E4 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025EE3E66720, 16 bytes long.
 Data: <p&#182;&#228;&#227;^           > 70 B6 E4 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025EE3E65A00, 16 bytes long.
 Data: <H&#182;&#228;&#227;^           > 48 B6 E4 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025EE3E664A0, 16 bytes long.
 Data: < &#182;&#228;&#227;^           > 20 B6 E4 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025EE3E65A50, 16 bytes long.
 Data: <&#248;&#181;&#228;&#227;^           > F8 B5 E4 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025EE3E5FFB0, 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 0x0000025EE3E66220, 16 bytes long.
 Data: <&#208;&#181;&#228;&#227;^           > D0 B5 E4 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025EE3E4B5D0, 320 bytes long.
 Data: < b&#230;&#227;^   &#176;&#255;&#229;&#227;^   > 20 62 E6 E3 5E 02 00 00 B0 FF E5 E3 5E 02 00 00 
{279} normal block at 0x0000025EE3E66270, 16 bytes long.
 Data: <&#224;V&#230;&#227;^           > E0 56 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025EE3E66450, 16 bytes long.
 Data: <&#184;V&#230;&#227;^           > B8 56 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025EE3E605B0, 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 0x0000025EE3E65FF0, 16 bytes long.
 Data: < V&#230;&#227;^           > 90 56 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025EE3E600D0, 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 0x0000025EE3E66540, 16 bytes long.
 Data: <&#216;U&#230;&#227;^           > D8 55 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025EE3E659B0, 16 bytes long.
 Data: <&#176;U&#230;&#227;^           > B0 55 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025EE3E666D0, 16 bytes long.
 Data: < U&#230;&#227;^           > 88 55 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025EE3E660E0, 16 bytes long.
 Data: <`U&#230;&#227;^           > 60 55 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025EE3E66400, 16 bytes long.
 Data: <8U&#230;&#227;^           > 38 55 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025EE3E5F300, 16 bytes long.
 Data: < U&#230;&#227;^           > 10 55 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025EE3E5EA40, 16 bytes long.
 Data: < =&#230;&#227;^           > 00 3D E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025EE3E63D00, 40 bytes long.
 Data: <@&#234;&#229;&#227;^   `&#165;&#232;&#227;^   > 40 EA E5 E3 5E 02 00 00 60 A5 E8 E3 5E 02 00 00 
{265} normal block at 0x0000025EE3E5F8F0, 16 bytes long.
 Data: <&#240;T&#230;&#227;^           > F0 54 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025EE3E5F1C0, 16 bytes long.
 Data: <&#200;T&#230;&#227;^           > C8 54 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025EE3E5FD10, 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 0x0000025EE3E5F7B0, 16 bytes long.
 Data: <&#160;T&#230;&#227;^           > A0 54 E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025EE3E654A0, 992 bytes long.
 Data: <&#176;&#247;&#229;&#227;^    &#253;&#229;&#227;^   > B0 F7 E5 E3 5E 02 00 00 10 FD E5 E3 5E 02 00 00 
{97} normal block at 0x0000025EE3E60670, 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 0x0000025EE3E5F170, 16 bytes long.
 Data: <@;&#230;&#227;^           > 40 3B E6 E3 5E 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000025EE3E63B40, 40 bytes long.
 Data: <p&#241;&#229;&#227;^   p &#230;&#227;^   > 70 F1 E5 E3 5E 02 00 00 70 06 E6 E3 5E 02 00 00 
{74} normal block at 0x0000025EE3E5EFE0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025EE3E5F580, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025EE3E5F710, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025EE3E5F8A0, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025EE3E5F6C0, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025EE3E5EDB0, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025EE3E5ED10, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025EE3E5F670, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025EE3E5F850, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025EE3E5ECC0, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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