Task 38698502

Name test_318-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND8412_0
Workunit 31639019
Created 2 Nov 2026, 16:17:41 UTC
Sent 2 Nov 2026, 16:17:50 UTC
Report deadline 7 Nov 2026, 16:17:50 UTC
Received 2 Nov 2026, 17:15:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654688
Run time 56 min 1 sec
CPU time 50 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,587.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 648.29 MB
Peak swap size 3.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
17:19:56 (18328): wrapper (7.9.26016): starting
17:19:56 (18328): 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
17:19:58 (18328): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:19:58 (18328): 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\9\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\9\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
18:14:05 (18328): C:/Windows/system32/cmd.exe exited; CPU time 3024.437500
18:14:05 (18328): 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: 36438247 bytes.
Dumping objects ->
{3835245} normal block at 0x0000027DE5331830, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000027DE5331600, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000027DE53316E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x0000027DE5331A60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000027DE5331520, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x0000027DE5426C30, 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) : {3835157} normal block at 0x0000027DE3782510, 8 bytes long.
 Data: <   &#229;}   > 00 00 18 E5 7D 02 00 00 
{3833945} normal block at 0x0000027DE37824C0, 8 bytes long.
 Data: <&#192; H&#229;}   > C0 03 48 E5 7D 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000027DE3782960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027DE3769FF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000027DE3778690, 16 bytes long.
 Data: <H:x&#227;}           > 48 3A 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027DE37781E0, 16 bytes long.
 Data: < :x&#227;}           > 20 3A 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027DE377DA30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000027DE3778640, 16 bytes long.
 Data: <&#248;9x&#227;}           > F8 39 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027DE3778000, 16 bytes long.
 Data: <&#208;9x&#227;}           > D0 39 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027DE37785F0, 16 bytes long.
 Data: <&#168;9x&#227;}           > A8 39 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027DE3777EC0, 16 bytes long.
 Data: < 9x&#227;}           > 80 39 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027DE377C5B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000027DE37780F0, 16 bytes long.
 Data: <&#216;[v&#227;}           > D8 5B 76 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027DE377DF70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000027DE3777E70, 16 bytes long.
 Data: <&#176;[v&#227;}           > B0 5B 76 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027DE3777E20, 16 bytes long.
 Data: < [v&#227;}           > 88 5B 76 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027DE3777DD0, 16 bytes long.
 Data: <`[v&#227;}           > 60 5B 76 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027DE3777D30, 16 bytes long.
 Data: <8[v&#227;}           > 38 5B 76 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027DE3782470, 16 bytes long.
 Data: < [v&#227;}           > 10 5B 76 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027DE3782150, 16 bytes long.
 Data: <&#232;Zv&#227;}           > E8 5A 76 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027DE377D9D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000027DE37821F0, 16 bytes long.
 Data: <&#192;Zv&#227;}           > C0 5A 76 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027DE3765AC0, 320 bytes long.
 Data: <&#240;!x&#227;}   &#208;&#217;w&#227;}   > F0 21 78 E3 7D 02 00 00 D0 D9 77 E3 7D 02 00 00 
{268} normal block at 0x0000027DE3782330, 16 bytes long.
 Data: <`9x&#227;}           > 60 39 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027DE3782420, 16 bytes long.
 Data: <89x&#227;}           > 38 39 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027DE377D8B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000027DE37822E0, 16 bytes long.
 Data: < 9x&#227;}           > 10 39 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027DE377E450, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000027DE37820B0, 16 bytes long.
 Data: <X8x&#227;}           > 58 38 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027DE37823D0, 16 bytes long.
 Data: <08x&#227;}           > 30 38 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027DE3782060, 16 bytes long.
 Data: < 8x&#227;}           > 08 38 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027DE3781FC0, 16 bytes long.
 Data: <&#224;7x&#227;}           > E0 37 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027DE3782290, 16 bytes long.
 Data: <&#184;7x&#227;}           > B8 37 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027DE3781F70, 16 bytes long.
 Data: < 7x&#227;}           > 90 37 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027DE3782380, 16 bytes long.
 Data: <P&#200;w&#227;}           > 50 C8 77 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000027DE377C850, 40 bytes long.
 Data: < #x&#227;}   0lB&#229;}   > 80 23 78 E3 7D 02 00 00 30 6C 42 E5 7D 02 00 00 
{254} normal block at 0x0000027DE37821A0, 16 bytes long.
 Data: <p7x&#227;}           > 70 37 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000027DE3781F20, 16 bytes long.
 Data: <H7x&#227;}           > 48 37 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000027DE377DF10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000027DE3782600, 16 bytes long.
 Data: < 7x&#227;}           > 20 37 78 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000027DE3783720, 992 bytes long.
 Data: < &x&#227;}    &#223;w&#227;}   > 00 26 78 E3 7D 02 00 00 10 DF 77 E3 7D 02 00 00 
{86} normal block at 0x0000027DE377E210, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000027DE3778280, 16 bytes long.
 Data: <&#176;&#204;w&#227;}           > B0 CC 77 E3 7D 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000027DE377CCB0, 40 bytes long.
 Data: < &#130;w&#227;}    &#226;w&#227;}   > 80 82 77 E3 7D 02 00 00 10 E2 77 E3 7D 02 00 00 
{63} normal block at 0x0000027DE3778460, 16 bytes long.
 Data: < &#234;&#228;c&#246;           > 80 EA E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027DE3777D80, 16 bytes long.
 Data: <@&#233;&#228;c&#246;           > 40 E9 E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027DE37782D0, 16 bytes long.
 Data: <&#248;W&#225;c&#246;           > F8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027DE37786E0, 16 bytes long.
 Data: <&#216;W&#225;c&#246;           > D8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027DE3778140, 16 bytes long.
 Data: <P &#225;c&#246;           > 50 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027DE3777AB0, 16 bytes long.
 Data: <0 &#225;c&#246;           > 30 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027DE3778730, 16 bytes long.
 Data: <&#224; &#225;c&#246;           > E0 02 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000027DE3778550, 16 bytes long.
 Data: <  &#225;c&#246;           > 10 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000027DE3778410, 16 bytes long.
 Data: <p &#225;c&#246;           > 70 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000027DE37784B0, 16 bytes long.
 Data: < &#192;&#223;c&#246;           > 18 C0 DF 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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