Task 38670829

Name test_178-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND6894_0
Workunit 31613056
Created 25 Oct 2026, 18:40:48 UTC
Sent 25 Oct 2026, 18:40:51 UTC
Report deadline 30 Oct 2026, 18:40:51 UTC
Received 25 Oct 2026, 19:04:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602597
Run time 23 min 5 sec
CPU time 14 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,001.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.44 MB
Peak swap size 8.51 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:41:54 (131376): wrapper (7.9.26016): starting
11:41:54 (131376): 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
11:41:55 (131376): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:41:55 (131376): 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\15\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\15\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
12:04:07 (131376): C:/Windows/system32/cmd.exe exited; CPU time 897.875000
12:04:07 (131376): 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: 30028651 bytes.
Dumping objects ->
{3835198} normal block at 0x000001E2459E1090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x000001E2459E0D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x000001E2459E07D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835165} normal block at 0x000001E2459E0D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001E2459E12C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835123} normal block at 0x000001E245A8C2B0, 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) : {3835110} normal block at 0x000001E243E6B7A0, 8 bytes long.
 Data: <  &#140;E&#226;   > 00 00 8C 45 E2 01 00 00 
{3833959} normal block at 0x000001E243E6ACB0, 8 bytes long.
 Data: <&#176;&#195;&#229;C&#226;   > B0 C3 E5 43 E2 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001E243E5F190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E243E5BFB0, 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 0x000001E243E73040, 16 bytes long.
 Data: < C&#231;C&#226;           > 18 43 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E243E73400, 16 bytes long.
 Data: <&#240;B&#231;C&#226;           > F0 42 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E243E6D860, 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 0x000001E243E73770, 16 bytes long.
 Data: <&#200;B&#231;C&#226;           > C8 42 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E243E73950, 16 bytes long.
 Data: <&#160;B&#231;C&#226;           > A0 42 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E243E73540, 16 bytes long.
 Data: <xB&#231;C&#226;           > 78 42 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E243E73860, 16 bytes long.
 Data: <PB&#231;C&#226;           > 50 42 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E243E6EEF0, 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 0x000001E243E72E60, 16 bytes long.
 Data: <h&#223;&#229;C&#226;           > 68 DF E5 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E243E6CD20, 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 0x000001E243E73450, 16 bytes long.
 Data: <@&#223;&#229;C&#226;           > 40 DF E5 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E243E73310, 16 bytes long.
 Data: < &#223;&#229;C&#226;           > 18 DF E5 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E243E736D0, 16 bytes long.
 Data: <&#240;&#222;&#229;C&#226;           > F0 DE E5 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E243E73360, 16 bytes long.
 Data: <&#200;&#222;&#229;C&#226;           > C8 DE E5 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E243E73900, 16 bytes long.
 Data: <&#160;&#222;&#229;C&#226;           > A0 DE E5 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E243E738B0, 16 bytes long.
 Data: <x&#222;&#229;C&#226;           > 78 DE E5 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E243E6D200, 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 0x000001E243E731D0, 16 bytes long.
 Data: <P&#222;&#229;C&#226;           > 50 DE E5 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E243E5DE50, 320 bytes long.
 Data: <&#208;1&#231;C&#226;    &#210;&#230;C&#226;   > D0 31 E7 43 E2 01 00 00 00 D2 E6 43 E2 01 00 00 
{275} normal block at 0x000001E243E73720, 16 bytes long.
 Data: <0B&#231;C&#226;           > 30 42 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E243E72FA0, 16 bytes long.
 Data: < B&#231;C&#226;           > 08 42 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E243E6D0E0, 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 0x000001E243E732C0, 16 bytes long.
 Data: <&#224;A&#231;C&#226;           > E0 41 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E243E6CDE0, 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 0x000001E243E73AE0, 16 bytes long.
 Data: <(A&#231;C&#226;           > 28 41 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E243E73220, 16 bytes long.
 Data: < A&#231;C&#226;           > 00 41 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E243E73810, 16 bytes long.
 Data: <&#216;@&#231;C&#226;           > D8 40 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E243E72FF0, 16 bytes long.
 Data: <&#176;@&#231;C&#226;           > B0 40 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E243E734F0, 16 bytes long.
 Data: < @&#231;C&#226;           > 88 40 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E243E737C0, 16 bytes long.
 Data: <`@&#231;C&#226;           > 60 40 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E243E72C80, 16 bytes long.
 Data: <&#176;&#233;&#230;C&#226;           > B0 E9 E6 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E243E6E9B0, 40 bytes long.
 Data: < ,&#231;C&#226;   &#176;&#194;&#168;E&#226;   > 80 2C E7 43 E2 01 00 00 B0 C2 A8 45 E2 01 00 00 
{261} normal block at 0x000001E243E73A40, 16 bytes long.
 Data: <@@&#231;C&#226;           > 40 40 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E243E73270, 16 bytes long.
 Data: < @&#231;C&#226;           > 18 40 E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E243E6D080, 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 0x000001E243E72DC0, 16 bytes long.
 Data: <&#240;?&#231;C&#226;           > F0 3F E7 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E243E73FF0, 992 bytes long.
 Data: <&#192;-&#231;C&#226;    &#208;&#230;C&#226;   > C0 2D E7 43 E2 01 00 00 80 D0 E6 43 E2 01 00 00 
{93} normal block at 0x000001E243E6D740, 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 0x000001E243E6B570, 16 bytes long.
 Data: < &#238;&#230;C&#226;           > 10 EE E6 43 E2 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001E243E6EE10, 40 bytes long.
 Data: <p&#181;&#230;C&#226;   @&#215;&#230;C&#226;   > 70 B5 E6 43 E2 01 00 00 40 D7 E6 43 E2 01 00 00 
{70} normal block at 0x000001E243E6B1B0, 16 bytes long.
 Data: < &#234;	w&#246;           > 80 EA 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E243E6B660, 16 bytes long.
 Data: <@&#233;	w&#246;           > 40 E9 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E243E6B8E0, 16 bytes long.
 Data: <&#248;W w&#246;           > F8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E243E6B6B0, 16 bytes long.
 Data: <&#216;W w&#246;           > D8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E243E6AC60, 16 bytes long.
 Data: <P  w&#246;           > 50 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E243E6B390, 16 bytes long.
 Data: <0  w&#246;           > 30 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E243E6AC10, 16 bytes long.
 Data: <&#224;  w&#246;           > E0 02 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E243E6B520, 16 bytes long.
 Data: <   w&#246;           > 10 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E243E6AB20, 16 bytes long.
 Data: <p  w&#246;           > 70 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E243E6AA80, 16 bytes long.
 Data: < &#192; w&#246;           > 18 C0 04 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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