Task 38674183

Name test_821-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND6755_0
Workunit 31616228
Created 26 Oct 2026, 4:32:20 UTC
Sent 26 Oct 2026, 4:32:29 UTC
Report deadline 31 Oct 2026, 4:32:29 UTC
Received 26 Oct 2026, 5:14:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654060
Run time 26 min 32 sec
CPU time 24 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.57 MB
Peak swap size 8.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:47:47 (27784): wrapper (7.9.26016): starting
23:47:47 (27784): 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
23:47:48 (27784): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:47:48 (27784): 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\10\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\10\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
00:13:23 (27784): C:/Windows/system32/cmd.exe exited; CPU time 1490.437500
00:13:23 (27784): 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: 41101131 bytes.
Dumping objects ->
{3835258} normal block at 0x000001EB8F56DD90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000001EB8D774050, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001EB8D773D40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x000001EB8D773F70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001EB8D773B80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x000001EB8F5B9E00, 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) : {3835170} normal block at 0x000001EB8D76F310, 8 bytes long.
 Data: <  &#222; &#235;   > 00 00 DE 8D EB 01 00 00 
{3833959} normal block at 0x000001EB8D76EBE0, 8 bytes long.
 Data: < &#228;u &#235;   > 80 E4 75 8D EB 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001EB8D7775F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EB8D7605E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001EB8D775370, 16 bytes long.
 Data: < Iw &#235;           > 18 49 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EB8D775640, 16 bytes long.
 Data: <&#240;Hw &#235;           > F0 48 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EB8D770660, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001EB8D774F60, 16 bytes long.
 Data: <&#200;Hw &#235;           > C8 48 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EB8D7758C0, 16 bytes long.
 Data: <&#160;Hw &#235;           > A0 48 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EB8D775910, 16 bytes long.
 Data: <xHw &#235;           > 78 48 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EB8D775730, 16 bytes long.
 Data: <PHw &#235;           > 50 48 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EB8D774130, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001EB8D774E20, 16 bytes long.
 Data: <&#200;&#181;u &#235;           > C8 B5 75 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EB8D770480, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001EB8D7754B0, 16 bytes long.
 Data: <&#160;&#181;u &#235;           > A0 B5 75 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EB8D775320, 16 bytes long.
 Data: <x&#181;u &#235;           > 78 B5 75 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EB8D774EC0, 16 bytes long.
 Data: <P&#181;u &#235;           > 50 B5 75 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EB8D774BA0, 16 bytes long.
 Data: <(&#181;u &#235;           > 28 B5 75 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EB8D7756E0, 16 bytes long.
 Data: < &#181;u &#235;           > 00 B5 75 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EB8D774D80, 16 bytes long.
 Data: <&#216;&#180;u &#235;           > D8 B4 75 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EB8D76FC40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001EB8D7755F0, 16 bytes long.
 Data: <&#176;&#180;u &#235;           > B0 B4 75 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EB8D75B4B0, 320 bytes long.
 Data: <&#240;Uw &#235;   @&#252;v &#235;   > F0 55 77 8D EB 01 00 00 40 FC 76 8D EB 01 00 00 
{275} normal block at 0x000001EB8D775410, 16 bytes long.
 Data: <0Hw &#235;           > 30 48 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EB8D775230, 16 bytes long.
 Data: < Hw &#235;           > 08 48 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EB8D770780, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001EB8D774FB0, 16 bytes long.
 Data: <&#224;Gw &#235;           > E0 47 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EB8D76FCA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001EB8D774F10, 16 bytes long.
 Data: <(Gw &#235;           > 28 47 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EB8D774E70, 16 bytes long.
 Data: < Gw &#235;           > 00 47 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EB8D7759B0, 16 bytes long.
 Data: <&#216;Fw &#235;           > D8 46 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EB8D774CE0, 16 bytes long.
 Data: <&#176;Fw &#235;           > B0 46 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EB8D774D30, 16 bytes long.
 Data: < Fw &#235;           > 88 46 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EB8D76F4F0, 16 bytes long.
 Data: <`Fw &#235;           > 60 46 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EB8D76F400, 16 bytes long.
 Data: < >w &#235;           > 90 3E 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EB8D773E90, 40 bytes long.
 Data: < &#244;v &#235;    &#158;[ &#235;   > 00 F4 76 8D EB 01 00 00 00 9E 5B 8F EB 01 00 00 
{261} normal block at 0x000001EB8D76F5E0, 16 bytes long.
 Data: <@Fw &#235;           > 40 46 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EB8D76F0E0, 16 bytes long.
 Data: < Fw &#235;           > 18 46 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EB8D7708A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001EB8D76F8B0, 16 bytes long.
 Data: <&#240;Ew &#235;           > F0 45 77 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EB8D7745F0, 992 bytes long.
 Data: <&#176;&#248;v &#235;   &#160; w &#235;   > B0 F8 76 8D EB 01 00 00 A0 08 77 8D EB 01 00 00 
{93} normal block at 0x000001EB8D770600, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001EB8D76F900, 16 bytes long.
 Data: <&#224;&#232;v &#235;           > E0 E8 76 8D EB 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001EB8D76E8E0, 40 bytes long.
 Data: < &#249;v &#235;     w &#235;   > 00 F9 76 8D EB 01 00 00 00 06 77 8D EB 01 00 00 
{70} normal block at 0x000001EB8D76F040, 16 bytes long.
 Data: < &#234;&#164;Q&#246;           > 80 EA A4 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EB8D76F090, 16 bytes long.
 Data: <@&#233;&#164;Q&#246;           > 40 E9 A4 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EB8D76EAF0, 16 bytes long.
 Data: <&#248;W&#161;Q&#246;           > F8 57 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EB8D76F860, 16 bytes long.
 Data: <&#216;W&#161;Q&#246;           > D8 57 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EB8D76F3B0, 16 bytes long.
 Data: <P &#161;Q&#246;           > 50 04 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EB8D76F360, 16 bytes long.
 Data: <0 &#161;Q&#246;           > 30 04 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EB8D76EA50, 16 bytes long.
 Data: <&#224; &#161;Q&#246;           > E0 02 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EB8D76EAA0, 16 bytes long.
 Data: <  &#161;Q&#246;           > 10 04 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EB8D76F220, 16 bytes long.
 Data: <p &#161;Q&#246;           > 70 04 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EB8D76EFF0, 16 bytes long.
 Data: < &#192;&#159;Q&#246;           > 18 C0 9F 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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