Task 38682093

Name test_931-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4781_0
Workunit 31623727
Created 27 Oct 2026, 6:32:46 UTC
Sent 27 Oct 2026, 6:32:53 UTC
Report deadline 1 Nov 2026, 6:32:53 UTC
Received 27 Oct 2026, 7:01:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610687
Run time 21 min 29 sec
CPU time 20 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,259.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.92 MB
Peak swap size 12.96 GB
Peak disk usage 3.67 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:40:50 (39932): wrapper (7.9.26016): starting
08:40:50 (39932): 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
08:40:52 (39932): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:40:52 (39932): 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
09:01:32 (39932): C:/Windows/system32/cmd.exe exited; CPU time 1200.625000
09:01:32 (39932): 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: 26831929 bytes.
Dumping objects ->
{3835275} normal block at 0x0000027DD73F4D50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x0000027DD5725C70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x0000027DD5726220, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x0000027DD5726140, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000027DD57260D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x0000027DD73953C0, 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) : {3835187} normal block at 0x0000027DD57202B0, 8 bytes long.
 Data: <  j&#213;}   > 00 00 6A D5 7D 02 00 00 
{3833939} normal block at 0x0000027DD5720120, 8 bytes long.
 Data: <&#224;&#233; &#213;}   > E0 E9 7F D5 7D 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x0000027DD5720820, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027DD5716EE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x0000027DD5726F10, 16 bytes long.
 Data: <&#232;fr&#213;}           > E8 66 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027DD5726C90, 16 bytes long.
 Data: <&#192;fr&#213;}           > C0 66 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027DD5724D10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x0000027DD57275F0, 16 bytes long.
 Data: < fr&#213;}           > 98 66 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027DD5727050, 16 bytes long.
 Data: <pfr&#213;}           > 70 66 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027DD5726D30, 16 bytes long.
 Data: <Hfr&#213;}           > 48 66 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027DD5727730, 16 bytes long.
 Data: < fr&#213;}           > 20 66 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027DD5726290, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x0000027DD5727320, 16 bytes long.
 Data: <  q&#213;}           > 08 06 71 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027DD5725070, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x0000027DD5726A10, 16 bytes long.
 Data: <&#224; q&#213;}           > E0 05 71 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027DD57271E0, 16 bytes long.
 Data: <&#184; q&#213;}           > B8 05 71 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027DD5727140, 16 bytes long.
 Data: <  q&#213;}           > 90 05 71 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027DD57268D0, 16 bytes long.
 Data: <h q&#213;}           > 68 05 71 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027DD5726830, 16 bytes long.
 Data: <@ q&#213;}           > 40 05 71 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027DD5726C40, 16 bytes long.
 Data: <  q&#213;}           > 18 05 71 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027DD57250D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x0000027DD5726B50, 16 bytes long.
 Data: <&#240; q&#213;}           > F0 04 71 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027DD57104F0, 320 bytes long.
 Data: <Pkr&#213;}   &#208;Pr&#213;}   > 50 6B 72 D5 7D 02 00 00 D0 50 72 D5 7D 02 00 00 
{265} normal block at 0x0000027DD5727780, 16 bytes long.
 Data: < fr&#213;}           > 00 66 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027DD5727000, 16 bytes long.
 Data: <&#216;er&#213;}           > D8 65 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027DD5725550, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x0000027DD57272D0, 16 bytes long.
 Data: <&#176;er&#213;}           > B0 65 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027DD5725250, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x0000027DD5727640, 16 bytes long.
 Data: <&#248;dr&#213;}           > F8 64 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027DD5726CE0, 16 bytes long.
 Data: <&#208;dr&#213;}           > D0 64 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027DD5726EC0, 16 bytes long.
 Data: <&#168;dr&#213;}           > A8 64 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027DD5726D80, 16 bytes long.
 Data: < dr&#213;}           > 80 64 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027DD57276E0, 16 bytes long.
 Data: <Xdr&#213;}           > 58 64 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000027DD57201C0, 16 bytes long.
 Data: <0dr&#213;}           > 30 64 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000027DD5720170, 16 bytes long.
 Data: <``r&#213;}           > 60 60 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000027DD5726060, 40 bytes long.
 Data: <p r&#213;}   &#192;S9&#215;}   > 70 01 72 D5 7D 02 00 00 C0 53 39 D7 7D 02 00 00 
{251} normal block at 0x0000027DD57200D0, 16 bytes long.
 Data: < dr&#213;}           > 10 64 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000027DD5720030, 16 bytes long.
 Data: <&#232;cr&#213;}           > E8 63 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000027DD5724BF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x0000027DD571FF90, 16 bytes long.
 Data: <&#192;cr&#213;}           > C0 63 72 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x0000027DD57263C0, 992 bytes long.
 Data: < &#255;q&#213;}   &#240;Kr&#213;}   > 90 FF 71 D5 7D 02 00 00 F0 4B 72 D5 7D 02 00 00 
{83} normal block at 0x0000027DD5711900, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x0000027DD5720080, 16 bytes long.
 Data: <&#240;&#193;p&#213;}           > F0 C1 70 D5 7D 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000027DD570C1F0, 40 bytes long.
 Data: <  r&#213;}     q&#213;}   > 80 00 72 D5 7D 02 00 00 00 19 71 D5 7D 02 00 00 
{60} normal block at 0x0000027DD571FA40, 16 bytes long.
 Data: < &#234;00&#247;           > 80 EA 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027DD571F5E0, 16 bytes long.
 Data: <@&#233;00&#247;           > 40 E9 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027DD571F810, 16 bytes long.
 Data: <&#248;W-0&#247;           > F8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027DD571F4F0, 16 bytes long.
 Data: <&#216;W-0&#247;           > D8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000027DD571FAE0, 16 bytes long.
 Data: <P -0&#247;           > 50 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000027DD571F9F0, 16 bytes long.
 Data: <0 -0&#247;           > 30 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000027DD571FBD0, 16 bytes long.
 Data: <&#224; -0&#247;           > E0 02 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000027DD5720260, 16 bytes long.
 Data: <  -0&#247;           > 10 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000027DD5720300, 16 bytes long.
 Data: <p -0&#247;           > 70 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x0000027DD571F590, 16 bytes long.
 Data: < &#192;+0&#247;           > 18 C0 2B 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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