Task 38661214

Name test_1249-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND4130_0
Workunit 31604646
Created 24 Oct 2026, 15:23:28 UTC
Sent 24 Oct 2026, 15:32:33 UTC
Report deadline 29 Oct 2026, 15:32:33 UTC
Received 24 Oct 2026, 15:59:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 22 min 54 sec
CPU time 20 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 112,285.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.31 MB
Peak swap size 13.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:37:30 (37452): wrapper (7.9.26016): starting
16:37:30 (37452): 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
16:37:32 (37452): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:37:32 (37452): 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 'D:\Boinc\data\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 'D:\Boinc\data\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
16:58:54 (37452): C:/Windows/system32/cmd.exe exited; CPU time 1243.312500
16:58:54 (37452): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 31729580 bytes.
Dumping objects ->
{3835279} normal block at 0x000002225C974D90, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835268} normal block at 0x000002225E751010, 32 bytes long.
 Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835257} normal block at 0x000002225E7514F0, 32 bytes long.
 Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74 
{3835246} normal block at 0x000002225E751310, 32 bytes long.
 Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835235} normal block at 0x000002225E752270, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835204} normal block at 0x000002225C974CB0, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835193} normal block at 0x000002225E71DB60, 85 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) : {3835190} normal block at 0x000002225C96ED30, 8 bytes long.
 Data: <   \"   > 00 00 90 5C 22 02 00 00 
{3834567} normal block at 0x000002225E71C300, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002225C96EC90, 8 bytes long.
 Data: < :v^"   > 00 3A 76 5E 22 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002225C970E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002225C9664D0, 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 0x000002225C9753D0, 16 bytes long.
 Data: <hf&#151;\"           > 68 66 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002225C976230, 16 bytes long.
 Data: <@f&#151;\"           > 40 66 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002225C96F900, 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 0x000002225C975F10, 16 bytes long.
 Data: < f&#151;\"           > 18 66 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002225C975AB0, 16 bytes long.
 Data: <&#240;e&#151;\"           > F0 65 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002225C975470, 16 bytes long.
 Data: <&#200;e&#151;\"           > C8 65 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002225C975740, 16 bytes long.
 Data: <&#160;e&#151;\"           > A0 65 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002225C974A10, 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 0x000002225C9757E0, 16 bytes long.
 Data: < &#182;&#149;\"           > 18 B6 95 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002225C96FEA0, 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 0x000002225C975FB0, 16 bytes long.
 Data: <&#240;&#181;&#149;\"           > F0 B5 95 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002225C9758D0, 16 bytes long.
 Data: <&#200;&#181;&#149;\"           > C8 B5 95 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002225C975420, 16 bytes long.
 Data: <&#160;&#181;&#149;\"           > A0 B5 95 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002225C975380, 16 bytes long.
 Data: <x&#181;&#149;\"           > 78 B5 95 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002225C975D30, 16 bytes long.
 Data: <P&#181;&#149;\"           > 50 B5 95 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002225C975600, 16 bytes long.
 Data: <(&#181;&#149;\"           > 28 B5 95 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002225C96FFC0, 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 0x000002225C975510, 16 bytes long.
 Data: < &#181;&#149;\"           > 00 B5 95 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002225C95B500, 320 bytes long.
 Data: < U&#151;\"   &#192;&#255;&#150;\"   > 10 55 97 5C 22 02 00 00 C0 FF 96 5C 22 02 00 00 
{276} normal block at 0x000002225C975EC0, 16 bytes long.
 Data: < e&#151;\"           > 80 65 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002225C976280, 16 bytes long.
 Data: <Xe&#151;\"           > 58 65 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002225C970260, 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 0x000002225C975A60, 16 bytes long.
 Data: <0e&#151;\"           > 30 65 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002225C96F8A0, 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 0x000002225C9754C0, 16 bytes long.
 Data: <xd&#151;\"           > 78 64 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002225C976190, 16 bytes long.
 Data: <Pd&#151;\"           > 50 64 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002225C9756F0, 16 bytes long.
 Data: <(d&#151;\"           > 28 64 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002225C975A10, 16 bytes long.
 Data: < d&#151;\"           > 00 64 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002225C975CE0, 16 bytes long.
 Data: <&#216;c&#151;\"           > D8 63 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002225C975E70, 16 bytes long.
 Data: <&#176;c&#151;\"           > B0 63 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002225C975970, 16 bytes long.
 Data: <@L&#151;\"           > 40 4C 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002225C974C40, 40 bytes long.
 Data: <pY&#151;\"   &#176;L&#151;\"   > 70 59 97 5C 22 02 00 00 B0 4C 97 5C 22 02 00 00 
{262} normal block at 0x000002225C975DD0, 16 bytes long.
 Data: < c&#151;\"           > 90 63 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002225C9759C0, 16 bytes long.
 Data: <hc&#151;\"           > 68 63 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002225C96FC60, 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 0x000002225C975B50, 16 bytes long.
 Data: <@c&#151;\"           > 40 63 97 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002225C976340, 992 bytes long.
 Data: <P[&#151;\"   `&#252;&#150;\"   > 50 5B 97 5C 22 02 00 00 60 FC 96 5C 22 02 00 00 
{94} normal block at 0x000002225C9703E0, 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 0x000002225C96EC40, 16 bytes long.
 Data: <&#192;&#239;&#149;\"           > C0 EF 95 5C 22 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002225C95EFC0, 40 bytes long.
 Data: <@&#236;&#150;\"   &#224; &#151;\"   > 40 EC 96 5C 22 02 00 00 E0 03 97 5C 22 02 00 00 
{71} normal block at 0x000002225C96F730, 16 bytes long.
 Data: < &#234;N.&#246;           > 80 EA 4E 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002225C96EF60, 16 bytes long.
 Data: <@&#233;N.&#246;           > 40 E9 4E 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002225C96EA10, 16 bytes long.
 Data: <&#248;WK.&#246;           > F8 57 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002225C96E880, 16 bytes long.
 Data: <&#216;WK.&#246;           > D8 57 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002225C96F690, 16 bytes long.
 Data: <P K.&#246;           > 50 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002225C96F000, 16 bytes long.
 Data: <0 K.&#246;           > 30 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002225C96F0A0, 16 bytes long.
 Data: <&#224; K.&#246;           > E0 02 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002225C96E830, 16 bytes long.
 Data: <  K.&#246;           > 10 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002225C96EB50, 16 bytes long.
 Data: <p K.&#246;           > 70 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002225C96E9C0, 16 bytes long.
 Data: < &#192;I.&#246;           > 18 C0 49 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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