Task 38679372

Name test_711-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND2206_0
Workunit 31621148
Created 26 Oct 2026, 20:19:17 UTC
Sent 26 Oct 2026, 20:19:21 UTC
Report deadline 31 Oct 2026, 20:19:21 UTC
Received 26 Oct 2026, 21:27:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649737
Run time 1 hours 3 min 10 sec
CPU time 1 hours 0 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,635.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.62 MB
Peak swap size 3.71 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:24:22 (21804): wrapper (7.9.26016): starting
09:24:22 (21804): 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
09:24:24 (21804): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:24:24 (21804): 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\4\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\4\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
10:26:14 (21804): C:/Windows/system32/cmd.exe exited; CPU time 3643.796875
10:26:14 (21804): 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: 61140885 bytes.
Dumping objects ->
{3835297} normal block at 0x0000026FCAB22DA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835286} normal block at 0x0000026FCAB22B00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000026FCAB21F30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835264} normal block at 0x0000026FC8FEB750, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x0000026FC8FEB6E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835222} normal block at 0x0000026FCAAFBBC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000026FCAB5D110, 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) : {3835208} normal block at 0x0000026FC8FE6C30, 8 bytes long.
 Data: <  &#246;&#200;o   > 00 00 F6 C8 6F 02 00 00 
{3834578} normal block at 0x0000026FCAB5CFB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000026FC8FE6820, 8 bytes long.
 Data: <&#192; &#178;&#202;o   > C0 12 B2 CA 6F 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000026FC8FEFFB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026FC8FD5CC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000026FC8FF1F00, 16 bytes long.
 Data: <H7&#255;&#200;o           > 48 37 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026FC8FF1D20, 16 bytes long.
 Data: < 7&#255;&#200;o           > 20 37 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026FC8FED390, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000026FC8FF1C80, 16 bytes long.
 Data: <&#248;6&#255;&#200;o           > F8 36 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026FC8FF1410, 16 bytes long.
 Data: <&#208;6&#255;&#200;o           > D0 36 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026FC8FF13C0, 16 bytes long.
 Data: <&#168;6&#255;&#200;o           > A8 36 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026FC8FF1C30, 16 bytes long.
 Data: < 6&#255;&#200;o           > 80 36 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026FC8FEB520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000026FC8FF1780, 16 bytes long.
 Data: <X\&#253;&#200;o           > 58 5C FD C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026FC8FED2D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000026FC8FF10F0, 16 bytes long.
 Data: <0\&#253;&#200;o           > 30 5C FD C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026FC8FF16E0, 16 bytes long.
 Data: < \&#253;&#200;o           > 08 5C FD C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026FC8FF1BE0, 16 bytes long.
 Data: <&#224;[&#253;&#200;o           > E0 5B FD C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026FC8FF1460, 16 bytes long.
 Data: <&#184;[&#253;&#200;o           > B8 5B FD C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026FC8FF1370, 16 bytes long.
 Data: < [&#253;&#200;o           > 90 5B FD C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026FC8FF1AF0, 16 bytes long.
 Data: <h[&#253;&#200;o           > 68 5B FD C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026FC8FED3F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000026FC8FF1EB0, 16 bytes long.
 Data: <@[&#253;&#200;o           > 40 5B FD C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026FC8FD5B40, 320 bytes long.
 Data: <&#176; &#255;&#200;o   &#240;&#211;&#254;&#200;o   > B0 1E FF C8 6F 02 00 00 F0 D3 FE C8 6F 02 00 00 
{271} normal block at 0x0000026FC8FF1280, 16 bytes long.
 Data: <`6&#255;&#200;o           > 60 36 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026FC8FF1A50, 16 bytes long.
 Data: <86&#255;&#200;o           > 38 36 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026FC8FEC850, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000026FC8FF1320, 16 bytes long.
 Data: < 6&#255;&#200;o           > 10 36 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026FC8FEC7F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000026FC8FF1690, 16 bytes long.
 Data: <X5&#255;&#200;o           > 58 35 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026FC8FF1E60, 16 bytes long.
 Data: <05&#255;&#200;o           > 30 35 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026FC8FF1730, 16 bytes long.
 Data: < 5&#255;&#200;o           > 08 35 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026FC8FF1230, 16 bytes long.
 Data: <&#224;4&#255;&#200;o           > E0 34 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026FC8FF19B0, 16 bytes long.
 Data: <&#184;4&#255;&#200;o           > B8 34 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026FC8FF1CD0, 16 bytes long.
 Data: < 4&#255;&#200;o           > 90 34 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026FC8FF1820, 16 bytes long.
 Data: < &#181;&#254;&#200;o           > 90 B5 FE C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026FC8FEB590, 40 bytes long.
 Data: <  &#255;&#200;o   &#192;&#187;&#175;&#202;o   > 20 18 FF C8 6F 02 00 00 C0 BB AF CA 6F 02 00 00 
{257} normal block at 0x0000026FC8FF1960, 16 bytes long.
 Data: <p4&#255;&#200;o           > 70 34 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026FC8FF1910, 16 bytes long.
 Data: <H4&#255;&#200;o           > 48 34 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000026FC8FECE50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000026FC8FF1DC0, 16 bytes long.
 Data: < 4&#255;&#200;o           > 20 34 FF C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000026FC8FF3420, 992 bytes long.
 Data: <&#192; &#255;&#200;o   P&#206;&#254;&#200;o   > C0 1D FF C8 6F 02 00 00 50 CE FE C8 6F 02 00 00 
{89} normal block at 0x0000026FC8FECFD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000026FC8FE6DC0, 16 bytes long.
 Data: <0&#177;&#254;&#200;o           > 30 B1 FE C8 6F 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000026FC8FEB130, 40 bytes long.
 Data: <&#192;m&#254;&#200;o   &#208;&#207;&#254;&#200;o   > C0 6D FE C8 6F 02 00 00 D0 CF FE C8 6F 02 00 00 
{66} normal block at 0x0000026FC8FE6410, 16 bytes long.
 Data: < &#234;&#156;&#173;&#246;           > 80 EA 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026FC8FE7130, 16 bytes long.
 Data: <@&#233;&#156;&#173;&#246;           > 40 E9 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026FC8FE6B90, 16 bytes long.
 Data: <&#248;W &#173;&#246;           > F8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026FC8FE6AF0, 16 bytes long.
 Data: <&#216;W &#173;&#246;           > D8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026FC8FE6A50, 16 bytes long.
 Data: <P  &#173;&#246;           > 50 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026FC8FE6E10, 16 bytes long.
 Data: <0  &#173;&#246;           > 30 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026FC8FE69B0, 16 bytes long.
 Data: <&#224;  &#173;&#246;           > E0 02 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026FC8FE6730, 16 bytes long.
 Data: <   &#173;&#246;           > 10 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026FC8FE6D20, 16 bytes long.
 Data: <p  &#173;&#246;           > 70 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000026FC8FE7040, 16 bytes long.
 Data: < &#192;&#151;&#173;&#246;           > 18 C0 97 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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