Task 38670908

Name test_720-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND7632_0
Workunit 31613133
Created 25 Oct 2026, 18:56:22 UTC
Sent 25 Oct 2026, 18:56:28 UTC
Report deadline 30 Oct 2026, 18:56:28 UTC
Received 25 Oct 2026, 20:41:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654147
Run time 34 min 55 sec
CPU time 31 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,069.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.96 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:04:42 (15340): wrapper (7.9.26016): starting
21:04:42 (15340): 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
21:04:44 (15340): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:04:44 (15340): 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\4\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\4\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
21:38:20 (15340): C:/Windows/system32/cmd.exe exited; CPU time 1898.015625
21:38:20 (15340): 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: 32921491 bytes.
Dumping objects ->
{3835197} normal block at 0x0000022BF209C490, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000022BF209C650, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000022BF20448D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x0000022BF2044710, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000022BF2044B00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x0000022BF3D24F00, 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) : {3835109} normal block at 0x0000022BF20400B0, 8 bytes long.
 Data: <  &#254;&#241;+   > 00 00 FE F1 2B 02 00 00 
{3833959} normal block at 0x0000022BF203F8E0, 8 bytes long.
 Data: < d&#216;&#243;+   > 20 64 D8 F3 2B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000022BF203E880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022BF2035F40, 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 0x0000022BF2045FA0, 16 bytes long.
 Data: <&#216;c &#242;+           > D8 63 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022BF2045E60, 16 bytes long.
 Data: <&#176;c &#242;+           > B0 63 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022BF2040960, 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 0x0000022BF20453C0, 16 bytes long.
 Data: < c &#242;+           > 88 63 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022BF2045820, 16 bytes long.
 Data: <`c &#242;+           > 60 63 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022BF2045320, 16 bytes long.
 Data: <8c &#242;+           > 38 63 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022BF20452D0, 16 bytes long.
 Data: < c &#242;+           > 10 63 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022BF2044B70, 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 0x0000022BF2045280, 16 bytes long.
 Data: <   &#242;+           > 88 8D 03 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022BF20404E0, 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 0x0000022BF2045230, 16 bytes long.
 Data: <`  &#242;+           > 60 8D 03 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022BF2045190, 16 bytes long.
 Data: <8  &#242;+           > 38 8D 03 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022BF2045FF0, 16 bytes long.
 Data: <   &#242;+           > 10 8D 03 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022BF20455A0, 16 bytes long.
 Data: <&#232;&#140; &#242;+           > E8 8C 03 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022BF20451E0, 16 bytes long.
 Data: <&#192;&#140; &#242;+           > C0 8C 03 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022BF2045D20, 16 bytes long.
 Data: < &#140; &#242;+           > 98 8C 03 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022BF20410E0, 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 0x0000022BF2045F00, 16 bytes long.
 Data: <p&#140; &#242;+           > 70 8C 03 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022BF2038C70, 320 bytes long.
 Data: < _ &#242;+   &#224;  &#242;+   > 00 5F 04 F2 2B 02 00 00 E0 10 04 F2 2B 02 00 00 
{275} normal block at 0x0000022BF2045AA0, 16 bytes long.
 Data: <&#240;b &#242;+           > F0 62 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022BF2045C80, 16 bytes long.
 Data: <&#200;b &#242;+           > C8 62 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022BF2040A20, 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 0x0000022BF20454B0, 16 bytes long.
 Data: <&#160;b &#242;+           > A0 62 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022BF20407E0, 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 0x0000022BF2045960, 16 bytes long.
 Data: <&#232;a &#242;+           > E8 61 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022BF2045C30, 16 bytes long.
 Data: <&#192;a &#242;+           > C0 61 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022BF2045140, 16 bytes long.
 Data: < a &#242;+           > 98 61 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022BF20457D0, 16 bytes long.
 Data: <pa &#242;+           > 70 61 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022BF2045F50, 16 bytes long.
 Data: <Ha &#242;+           > 48 61 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022BF2045460, 16 bytes long.
 Data: < a &#242;+           > 20 61 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022BF2045CD0, 16 bytes long.
 Data: <@I &#242;+           > 40 49 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022BF2044940, 40 bytes long.
 Data: <&#208;\ &#242;+    O&#210;&#243;+   > D0 5C 04 F2 2B 02 00 00 00 4F D2 F3 2B 02 00 00 
{261} normal block at 0x0000022BF20450F0, 16 bytes long.
 Data: < a &#242;+           > 00 61 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022BF2045EB0, 16 bytes long.
 Data: <&#216;` &#242;+           > D8 60 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022BF2040CC0, 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 0x0000022BF2045A50, 16 bytes long.
 Data: <&#176;` &#242;+           > B0 60 04 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022BF20460B0, 992 bytes long.
 Data: <PZ &#242;+   &#192;  &#242;+   > 50 5A 04 F2 2B 02 00 00 C0 0C 04 F2 2B 02 00 00 
{93} normal block at 0x0000022BF20413E0, 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 0x0000022BF203F5C0, 16 bytes long.
 Data: <&#224;&#228; &#242;+           > E0 E4 02 F2 2B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000022BF202E4E0, 40 bytes long.
 Data: <&#192;&#245; &#242;+   &#224;  &#242;+   > C0 F5 03 F2 2B 02 00 00 E0 13 04 F2 2B 02 00 00 
{70} normal block at 0x0000022BF203FB60, 16 bytes long.
 Data: < &#234;&#198;b&#247;           > 80 EA C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022BF203FAC0, 16 bytes long.
 Data: <@&#233;&#198;b&#247;           > 40 E9 C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022BF2040380, 16 bytes long.
 Data: <&#248;W&#195;b&#247;           > F8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022BF203F840, 16 bytes long.
 Data: <&#216;W&#195;b&#247;           > D8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022BF203F570, 16 bytes long.
 Data: <P &#195;b&#247;           > 50 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022BF203F520, 16 bytes long.
 Data: <0 &#195;b&#247;           > 30 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022BF203FE80, 16 bytes long.
 Data: <&#224; &#195;b&#247;           > E0 02 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022BF203FC00, 16 bytes long.
 Data: <  &#195;b&#247;           > 10 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022BF203FA20, 16 bytes long.
 Data: <p &#195;b&#247;           > 70 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022BF203FC50, 16 bytes long.
 Data: < &#192;&#193;b&#247;           > 18 C0 C1 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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