Task 38677972

Name test_887-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND6111_0
Workunit 31619818
Created 26 Oct 2026, 16:00:08 UTC
Sent 26 Oct 2026, 16:00:15 UTC
Report deadline 31 Oct 2026, 16:00:15 UTC
Received 26 Oct 2026, 17:00:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654879
Run time 17 min 41 sec
CPU time 16 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.75 MB
Peak swap size 13.14 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:33:02 (16184): wrapper (7.9.26016): starting
17:33:02 (16184): 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
17:33:03 (16184): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:33:03 (16184): 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
17:50:02 (16184): C:/Windows/system32/cmd.exe exited; CPU time 1016.937500
17:50:02 (16184): 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: 16784881 bytes.
Dumping objects ->
{3835018} normal block at 0x000002949A5A8CC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835007} normal block at 0x000002949A5A8BE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834996} normal block at 0x000002949A5A85C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3834985} normal block at 0x000002949A5A8C50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834974} normal block at 0x0000029498844AD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3834943} normal block at 0x000002949A5B9880, 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) : {3834930} normal block at 0x000002949883DFC0, 8 bytes long.
 Data: <  &#232; &#148;   > 00 00 E8 98 94 02 00 00 
{3833961} normal block at 0x000002949883D750, 8 bytes long.
 Data: < &#228;&#145; &#148;   > 80 E4 91 98 94 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000029498841790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000029498836160, 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 0x0000029498845900, 16 bytes long.
 Data: <&#184;i&#132; &#148;           > B8 69 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029498845B30, 16 bytes long.
 Data: < i&#132; &#148;           > 90 69 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002949883EFA0, 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 0x00000294988463A0, 16 bytes long.
 Data: <hi&#132; &#148;           > 68 69 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029498846210, 16 bytes long.
 Data: <@i&#132; &#148;           > 40 69 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029498846300, 16 bytes long.
 Data: < i&#132; &#148;           > 18 69 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029498845C70, 16 bytes long.
 Data: <&#240;h&#132; &#148;           > F0 68 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029498844DE0, 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 0x0000029498845EA0, 16 bytes long.
 Data: <&#184;S&#132; &#148;           > B8 53 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002949883F4E0, 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 0x0000029498845F40, 16 bytes long.
 Data: < S&#132; &#148;           > 90 53 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000294988465D0, 16 bytes long.
 Data: <hS&#132; &#148;           > 68 53 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029498846490, 16 bytes long.
 Data: <@S&#132; &#148;           > 40 53 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029498846580, 16 bytes long.
 Data: < S&#132; &#148;           > 18 53 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000294988462B0, 16 bytes long.
 Data: <&#240;R&#132; &#148;           > F0 52 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029498845CC0, 16 bytes long.
 Data: <&#200;R&#132; &#148;           > C8 52 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002949883F3C0, 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 0x0000029498845AE0, 16 bytes long.
 Data: <&#160;R&#132; &#148;           > A0 52 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000294988452A0, 320 bytes long.
 Data: <&#224;Z&#132; &#148;   &#192;&#243;  &#148;   > E0 5A 84 98 94 02 00 00 C0 F3 83 98 94 02 00 00 
{276} normal block at 0x0000029498845D10, 16 bytes long.
 Data: <&#208;h&#132; &#148;           > D0 68 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029498846030, 16 bytes long.
 Data: <&#168;h&#132; &#148;           > A8 68 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002949883EE20, 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 0x0000029498846260, 16 bytes long.
 Data: < h&#132; &#148;           > 80 68 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002949883EDC0, 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 0x0000029498845DB0, 16 bytes long.
 Data: <&#200;g&#132; &#148;           > C8 67 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000294988461C0, 16 bytes long.
 Data: <&#160;g&#132; &#148;           > A0 67 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000294988459F0, 16 bytes long.
 Data: <xg&#132; &#148;           > 78 67 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000294988459A0, 16 bytes long.
 Data: <Pg&#132; &#148;           > 50 67 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000294988457C0, 16 bytes long.
 Data: <(g&#132; &#148;           > 28 67 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000294988460D0, 16 bytes long.
 Data: < g&#132; &#148;           > 00 67 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029498846350, 16 bytes long.
 Data: <&#160;H&#132; &#148;           > A0 48 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000294988448A0, 40 bytes long.
 Data: <Pc&#132; &#148;     [&#154;&#148;   > 50 63 84 98 94 02 00 00 80 98 5B 9A 94 02 00 00 
{262} normal block at 0x0000029498845A90, 16 bytes long.
 Data: <&#224;f&#132; &#148;           > E0 66 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029498845950, 16 bytes long.
 Data: <&#184;f&#132; &#148;           > B8 66 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002949883EEE0, 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 0x0000029498846170, 16 bytes long.
 Data: < f&#132; &#148;           > 90 66 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029498846690, 992 bytes long.
 Data: <pa&#132; &#148;   &#224;&#238;  &#148;   > 70 61 84 98 94 02 00 00 E0 EE 83 98 94 02 00 00 
{94} normal block at 0x000002949883F900, 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 0x000002949883D4D0, 16 bytes long.
 Data: <pM&#132; &#148;           > 70 4D 84 98 94 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000029498844D70, 40 bytes long.
 Data: <&#208;&#212;  &#148;    &#249;  &#148;   > D0 D4 83 98 94 02 00 00 00 F9 83 98 94 02 00 00 
{71} normal block at 0x000002949883DC50, 16 bytes long.
 Data: < &#234;&#159;7&#247;           > 80 EA 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002949883D890, 16 bytes long.
 Data: <@&#233;&#159;7&#247;           > 40 E9 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002949883DD40, 16 bytes long.
 Data: <&#248;W&#156;7&#247;           > F8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002949883DA70, 16 bytes long.
 Data: <&#216;W&#156;7&#247;           > D8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002949883D570, 16 bytes long.
 Data: <P &#156;7&#247;           > 50 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002949883E010, 16 bytes long.
 Data: <0 &#156;7&#247;           > 30 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002949883D2A0, 16 bytes long.
 Data: <&#224; &#156;7&#247;           > E0 02 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002949883DC00, 16 bytes long.
 Data: <  &#156;7&#247;           > 10 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002949883DF70, 16 bytes long.
 Data: <p &#156;7&#247;           > 70 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002949883D660, 16 bytes long.
 Data: < &#192;&#154;7&#247;           > 18 C0 9A 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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