Task 38661774

Name test_851-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5165_1
Workunit 31601832
Created 24 Oct 2026, 16:16:47 UTC
Sent 24 Oct 2026, 17:27:53 UTC
Report deadline 29 Oct 2026, 17:27:53 UTC
Received 26 Oct 2026, 2:05:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654638
Run time 46 min 10 sec
CPU time 41 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,725.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.36 MB
Peak swap size 5.43 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:19:00 (28164): wrapper (7.9.26016): starting
02:19:00 (28164): 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
02:19:03 (28164): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:19:03 (28164): 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\13\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\13\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
03:03:08 (28164): C:/Windows/system32/cmd.exe exited; CPU time 2486.968750
03:03:08 (28164): 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: 59259117 bytes.
Dumping objects ->
{3835437} normal block at 0x000001841897A8D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x000001841897B2E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x000001841897B270, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835404} normal block at 0x0000018418955730, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x00000184189556C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835362} normal block at 0x000001841A64B6F0, 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) : {3835349} normal block at 0x000001841894E6F0, 8 bytes long.
 Data: <  &#219; &#132;   > 00 00 DB 18 84 01 00 00 
{3833967} normal block at 0x000001841894DD40, 8 bytes long.
 Data: <&#240;Pm &#132;   > F0 50 6D 1A 84 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000018418951CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000018418947650, 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 0x0000018418956B80, 16 bytes long.
 Data: <8r&#149; &#132;           > 38 72 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018418956D60, 16 bytes long.
 Data: < r&#149; &#132;           > 10 72 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001841894FFD0, 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 0x0000018418956A40, 16 bytes long.
 Data: <&#232;q&#149; &#132;           > E8 71 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018418956B30, 16 bytes long.
 Data: <&#192;q&#149; &#132;           > C0 71 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018418956E50, 16 bytes long.
 Data: < q&#149; &#132;           > 98 71 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018418956090, 16 bytes long.
 Data: <pq&#149; &#132;           > 70 71 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000184189553B0, 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 0x0000018418956630, 16 bytes long.
 Data: <X&#250;&#147; &#132;           > 58 FA 93 18 84 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000184189507B0, 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 0x0000018418956A90, 16 bytes long.
 Data: <0&#250;&#147; &#132;           > 30 FA 93 18 84 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018418956130, 16 bytes long.
 Data: < &#250;&#147; &#132;           > 08 FA 93 18 84 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018418956360, 16 bytes long.
 Data: <&#224;&#249;&#147; &#132;           > E0 F9 93 18 84 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000184189565E0, 16 bytes long.
 Data: <&#184;&#249;&#147; &#132;           > B8 F9 93 18 84 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018418956590, 16 bytes long.
 Data: < &#249;&#147; &#132;           > 90 F9 93 18 84 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018418956040, 16 bytes long.
 Data: <h&#249;&#147; &#132;           > 68 F9 93 18 84 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018418950090, 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 0x0000018418956D10, 16 bytes long.
 Data: <@&#249;&#147; &#132;           > 40 F9 93 18 84 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001841893F940, 320 bytes long.
 Data: < m&#149; &#132;     &#149; &#132;   > 10 6D 95 18 84 01 00 00 90 00 95 18 84 01 00 00 
{279} normal block at 0x0000018418956540, 16 bytes long.
 Data: <Pq&#149; &#132;           > 50 71 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018418956DB0, 16 bytes long.
 Data: <(q&#149; &#132;           > 28 71 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001841894FF70, 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 0x0000018418956CC0, 16 bytes long.
 Data: < q&#149; &#132;           > 00 71 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001841894FF10, 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 0x0000018418955FF0, 16 bytes long.
 Data: <Hp&#149; &#132;           > 48 70 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018418956810, 16 bytes long.
 Data: < p&#149; &#132;           > 20 70 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018418956C70, 16 bytes long.
 Data: <&#248;o&#149; &#132;           > F8 6F 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018418956270, 16 bytes long.
 Data: <&#208;o&#149; &#132;           > D0 6F 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018418956770, 16 bytes long.
 Data: <&#168;o&#149; &#132;           > A8 6F 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018418955F50, 16 bytes long.
 Data: < o&#149; &#132;           > 80 6F 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018418955FA0, 16 bytes long.
 Data: < X&#149; &#132;           > 80 58 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018418955880, 40 bytes long.
 Data: <&#160;_&#149; &#132;   &#240;&#182;d &#132;   > A0 5F 95 18 84 01 00 00 F0 B6 64 1A 84 01 00 00 
{265} normal block at 0x00000184189561D0, 16 bytes long.
 Data: <`o&#149; &#132;           > 60 6F 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018418956C20, 16 bytes long.
 Data: <8o&#149; &#132;           > 38 6F 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018418950390, 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 0x0000018418956BD0, 16 bytes long.
 Data: < o&#149; &#132;           > 10 6F 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018418956F10, 992 bytes long.
 Data: <&#208;k&#149; &#132;     &#149; &#132;   > D0 6B 95 18 84 01 00 00 90 03 95 18 84 01 00 00 
{97} normal block at 0x0000018418950150, 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 0x000001841894DCA0, 16 bytes long.
 Data: < T&#149; &#132;           > 20 54 95 18 84 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000018418955420, 40 bytes long.
 Data: <&#160;&#220;&#148; &#132;   P &#149; &#132;   > A0 DC 94 18 84 01 00 00 50 01 95 18 84 01 00 00 
{74} normal block at 0x000001841894D930, 16 bytes long.
 Data: < &#234; &#165;&#247;           > 80 EA 8F A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001841894DF70, 16 bytes long.
 Data: <@&#233; &#165;&#247;           > 40 E9 8F A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001841894DF20, 16 bytes long.
 Data: <&#248;W&#140;&#165;&#247;           > F8 57 8C A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001841894E650, 16 bytes long.
 Data: <&#216;W&#140;&#165;&#247;           > D8 57 8C A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001841894E1F0, 16 bytes long.
 Data: <P &#140;&#165;&#247;           > 50 04 8C A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001841894DE80, 16 bytes long.
 Data: <0 &#140;&#165;&#247;           > 30 04 8C A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001841894E600, 16 bytes long.
 Data: <&#224; &#140;&#165;&#247;           > E0 02 8C A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001841894E1A0, 16 bytes long.
 Data: <  &#140;&#165;&#247;           > 10 04 8C A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001841894DE30, 16 bytes long.
 Data: <p &#140;&#165;&#247;           > 70 04 8C A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001841894E0B0, 16 bytes long.
 Data: < &#192;&#138;&#165;&#247;           > 18 C0 8A A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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