Task 38682721

Name test_73-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND1893_0
Workunit 31624317
Created 27 Oct 2026, 8:49:19 UTC
Sent 27 Oct 2026, 8:49:28 UTC
Report deadline 1 Nov 2026, 8:49:28 UTC
Received 27 Oct 2026, 11:50:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590723
Run time 52 min 42 sec
CPU time 48 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.58 MB
Peak swap size 8.37 GB
Peak disk usage 3.61 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:58:29 (6704): wrapper (7.9.26016): starting
05:58:29 (6704): 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
05:58:30 (6704): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:58:30 (6704): 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
06:50:21 (6704): C:/Windows/system32/cmd.exe exited; CPU time 2910.656250
06:50:21 (6704): 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: 48155379 bytes.
Dumping objects ->
{3835508} normal block at 0x00000220380A4FA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x00000220380A4DE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x00000220380A54E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835475} normal block at 0x00000220380A5390, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x00000220380A4F30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835433} normal block at 0x0000022039E95430, 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) : {3835420} normal block at 0x000002203809ECD0, 8 bytes long.
 Data: <  [8    > 00 00 5B 38 20 02 00 00 
{3833967} normal block at 0x000002203809F0E0, 8 bytes long.
 Data: < &#233; 8    > 90 E9 17 38 20 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022038096260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022038097660, 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 0x00000220380A61C0, 16 bytes long.
 Data: < o 8            > 08 6F 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000220380A6580, 16 bytes long.
 Data: <&#224;n 8            > E0 6E 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000220380A10E0, 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 0x00000220380A6B70, 16 bytes long.
 Data: <&#184;n 8            > B8 6E 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000220380A6440, 16 bytes long.
 Data: < n 8            > 90 6E 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000220380A5C70, 16 bytes long.
 Data: <hn 8            > 68 6E 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000220380A5E50, 16 bytes long.
 Data: <@n 8            > 40 6E 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000220380A5080, 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 0x00000220380A6710, 16 bytes long.
 Data: <  	8            > 08 00 09 38 20 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000220380A0780, 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 0x00000220380A5EF0, 16 bytes long.
 Data: <&#224;&#255; 8            > E0 FF 08 38 20 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000220380A5FE0, 16 bytes long.
 Data: <&#184;&#255; 8            > B8 FF 08 38 20 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000220380A63A0, 16 bytes long.
 Data: < &#255; 8            > 90 FF 08 38 20 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000220380A69E0, 16 bytes long.
 Data: <h&#255; 8            > 68 FF 08 38 20 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000220380A5CC0, 16 bytes long.
 Data: <@&#255; 8            > 40 FF 08 38 20 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000220380A5C20, 16 bytes long.
 Data: < &#255; 8            > 18 FF 08 38 20 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000220380A03C0, 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 0x00000220380A6490, 16 bytes long.
 Data: <&#240;&#254; 8            > F0 FE 08 38 20 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002203808FEF0, 320 bytes long.
 Data: < d 8    &#192;  8    > 90 64 0A 38 20 02 00 00 C0 03 0A 38 20 02 00 00 
{279} normal block at 0x00000220380A63F0, 16 bytes long.
 Data: < n 8            > 20 6E 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000220380A66C0, 16 bytes long.
 Data: <&#248;m 8            > F8 6D 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000220380A0DE0, 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 0x00000220380A65D0, 16 bytes long.
 Data: <&#208;m 8            > D0 6D 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000220380A0A20, 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 0x00000220380A67B0, 16 bytes long.
 Data: < m 8            > 18 6D 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000220380A6B20, 16 bytes long.
 Data: <&#240;l 8            > F0 6C 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000220380A6990, 16 bytes long.
 Data: <&#200;l 8            > C8 6C 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000220380A5DB0, 16 bytes long.
 Data: <&#160;l 8            > A0 6C 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000220380A6800, 16 bytes long.
 Data: <xl 8            > 78 6C 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000220380A6620, 16 bytes long.
 Data: <Pl 8            > 50 6C 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000220380A6350, 16 bytes long.
 Data: < P 8            > 10 50 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000220380A5010, 40 bytes long.
 Data: <Pc 8    0T&#233;9    > 50 63 0A 38 20 02 00 00 30 54 E9 39 20 02 00 00 
{265} normal block at 0x00000220380A6A30, 16 bytes long.
 Data: <0l 8            > 30 6C 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000220380A5EA0, 16 bytes long.
 Data: < l 8            > 08 6C 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000220380A0540, 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 0x00000220380A6940, 16 bytes long.
 Data: <&#224;k 8            > E0 6B 0A 38 20 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000220380A6BE0, 992 bytes long.
 Data: <@i 8    @  8    > 40 69 0A 38 20 02 00 00 40 05 0A 38 20 02 00 00 
{97} normal block at 0x00000220380A0F00, 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 0x000002203809F310, 16 bytes long.
 Data: <p&#204; 8            > 70 CC 08 38 20 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002203808CC70, 40 bytes long.
 Data: < &#243;	8       8    > 10 F3 09 38 20 02 00 00 00 0F 0A 38 20 02 00 00 
{74} normal block at 0x000002203809EF50, 16 bytes long.
 Data: < &#234;&#160;&#176;&#246;           > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002203809E820, 16 bytes long.
 Data: <@&#233;&#160;&#176;&#246;           > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002203809EE60, 16 bytes long.
 Data: <&#248;W &#176;&#246;           > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002203809E910, 16 bytes long.
 Data: <&#216;W &#176;&#246;           > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002203809E8C0, 16 bytes long.
 Data: <P  &#176;&#246;           > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002203809E6E0, 16 bytes long.
 Data: <0  &#176;&#246;           > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002203809F360, 16 bytes long.
 Data: <&#224;  &#176;&#246;           > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002203809EAF0, 16 bytes long.
 Data: <   &#176;&#246;           > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002203809F4F0, 16 bytes long.
 Data: <p  &#176;&#246;           > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002203809F400, 16 bytes long.
 Data: < &#192;&#155;&#176;&#246;           > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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