Task 38678017

Name test_767-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND8999_0
Workunit 31619861
Created 26 Oct 2026, 16:06:25 UTC
Sent 26 Oct 2026, 16:06:26 UTC
Report deadline 31 Oct 2026, 16:06:26 UTC
Received 26 Oct 2026, 17:22:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 605863
Run time 1 hours 15 min 41 sec
CPU time 1 hours 7 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,146.84 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.66 MB
Peak swap size 8.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:08:40 (18216): wrapper (7.9.26016): starting
17:08:40 (18216): 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
17:08:41 (18216): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:08:41 (18216): 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
18:22:21 (18216): C:/Windows/system32/cmd.exe exited; CPU time 4026.125000
18:22:21 (18216): 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: 69101575 bytes.
Dumping objects ->
{3835441} normal block at 0x000002379DCD2460, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835430} normal block at 0x000002379DCD2000, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835419} normal block at 0x000002379DCD1F20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835408} normal block at 0x000002379DCD22A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835397} normal block at 0x000002379DC84E30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835366} normal block at 0x000002379F9C7640, 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) : {3835353} normal block at 0x000002379DC7DC00, 8 bytes long.
 Data: <  &#194; 7   > 00 00 C2 9D 37 02 00 00 
{3833963} normal block at 0x000002379DC7DDE0, 8 bytes long.
 Data: < D&#162;&#159;7   > 90 44 A2 9F 37 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002379DC819A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002379DC76850, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002379DC867F0, 16 bytes long.
 Data: <&#200;q&#200; 7           > C8 71 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002379DC86E30, 16 bytes long.
 Data: <&#160;q&#200; 7           > A0 71 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002379DC80090, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002379DC86390, 16 bytes long.
 Data: <xq&#200; 7           > 78 71 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002379DC86160, 16 bytes long.
 Data: <Pq&#200; 7           > 50 71 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002379DC86DE0, 16 bytes long.
 Data: <(q&#200; 7           > 28 71 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002379DC86250, 16 bytes long.
 Data: < q&#200; 7           > 00 71 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002379DC84EA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002379DC86D90, 16 bytes long.
 Data: < Z&#200; 7           > 98 5A C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002379DC7F9D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002379DC86750, 16 bytes long.
 Data: <pZ&#200; 7           > 70 5A C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002379DC865C0, 16 bytes long.
 Data: <HZ&#200; 7           > 48 5A C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002379DC86D40, 16 bytes long.
 Data: < Z&#200; 7           > 20 5A C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002379DC86CF0, 16 bytes long.
 Data: <&#248;Y&#200; 7           > F8 59 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002379DC86CA0, 16 bytes long.
 Data: <&#208;Y&#200; 7           > D0 59 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002379DC86B10, 16 bytes long.
 Data: <&#168;Y&#200; 7           > A8 59 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002379DC801B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002379DC86700, 16 bytes long.
 Data: < Y&#200; 7           > 80 59 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002379DC85980, 320 bytes long.
 Data: < g&#200; 7   &#176; &#200; 7   > 00 67 C8 9D 37 02 00 00 B0 01 C8 9D 37 02 00 00 
{277} normal block at 0x000002379DC86570, 16 bytes long.
 Data: <&#224;p&#200; 7           > E0 70 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002379DC86AC0, 16 bytes long.
 Data: <&#184;p&#200; 7           > B8 70 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002379DC7FCD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002379DC862A0, 16 bytes long.
 Data: < p&#200; 7           > 90 70 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002379DC802D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002379DC86C50, 16 bytes long.
 Data: <&#216;o&#200; 7           > D8 6F C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002379DC86BB0, 16 bytes long.
 Data: <&#176;o&#200; 7           > B0 6F C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002379DC869D0, 16 bytes long.
 Data: < o&#200; 7           > 88 6F C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002379DC86A70, 16 bytes long.
 Data: <`o&#200; 7           > 60 6F C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002379DC866B0, 16 bytes long.
 Data: <8o&#200; 7           > 38 6F C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002379DC86520, 16 bytes long.
 Data: < o&#200; 7           > 10 6F C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002379DC864D0, 16 bytes long.
 Data: < O&#200; 7           > 80 4F C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002379DC84F80, 40 bytes long.
 Data: <&#208;d&#200; 7   @v&#156;&#159;7   > D0 64 C8 9D 37 02 00 00 40 76 9C 9F 37 02 00 00 
{263} normal block at 0x000002379DC86110, 16 bytes long.
 Data: <&#240;n&#200; 7           > F0 6E C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002379DC86660, 16 bytes long.
 Data: <&#200;n&#200; 7           > C8 6E C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002379DC7F850, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002379DC86340, 16 bytes long.
 Data: <&#160;n&#200; 7           > A0 6E C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002379DC86EA0, 992 bytes long.
 Data: <@c&#200; 7   P&#248;&#199; 7   > 40 63 C8 9D 37 02 00 00 50 F8 C7 9D 37 02 00 00 
{95} normal block at 0x000002379DC7F970, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002379DC7DB60, 16 bytes long.
 Data: < R&#200; 7           > 20 52 C8 9D 37 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002379DC85220, 40 bytes long.
 Data: <`&#219;&#199; 7   p&#249;&#199; 7   > 60 DB C7 9D 37 02 00 00 70 F9 C7 9D 37 02 00 00 
{72} normal block at 0x000002379DC7E2E0, 16 bytes long.
 Data: < &#234;&#132;&#184;&#247;           > 80 EA 84 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002379DC7D8E0, 16 bytes long.
 Data: <@&#233;&#132;&#184;&#247;           > 40 E9 84 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002379DC7E1A0, 16 bytes long.
 Data: <&#248;W &#184;&#247;           > F8 57 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002379DC7DFC0, 16 bytes long.
 Data: <&#216;W &#184;&#247;           > D8 57 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002379DC7DB10, 16 bytes long.
 Data: <P  &#184;&#247;           > 50 04 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002379DC7E560, 16 bytes long.
 Data: <0  &#184;&#247;           > 30 04 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002379DC7E510, 16 bytes long.
 Data: <&#224;  &#184;&#247;           > E0 02 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002379DC7E4C0, 16 bytes long.
 Data: <   &#184;&#247;           > 10 04 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002379DC7DC50, 16 bytes long.
 Data: <p  &#184;&#247;           > 70 04 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002379DC7DAC0, 16 bytes long.
 Data: < &#192; &#184;&#247;           > 18 C0 7F B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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