Task 38678464

Name test_918-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4530_0
Workunit 31620283
Created 26 Oct 2026, 17:29:57 UTC
Sent 26 Oct 2026, 17:30:01 UTC
Report deadline 31 Oct 2026, 17:30:01 UTC
Received 26 Oct 2026, 18:05:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625666
Run time 33 min 42 sec
CPU time 30 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.00 MB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:32:46 (27812): wrapper (7.9.26016): starting
12:32:46 (27812): 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
12:32:47 (27812): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:32:47 (27812): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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
13:04:18 (27812): C:/Windows/system32/cmd.exe exited; CPU time 1848.203125
13:04:18 (27812): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 bytes in 8 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: 35623826 bytes.
Dumping objects ->
{3835291} normal block at 0x000001C2FC9D14F0, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835280} normal block at 0x000001C2FCB46610, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835269} normal block at 0x000001C2FCB464F0, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835258} normal block at 0x000001C2FCB465B0, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835247} normal block at 0x000001C2FCB46550, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835216} normal block at 0x000001C2FC9D1020, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835205} normal block at 0x000001C2FCB96280, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835202} normal block at 0x000001C2FAFE6CD0, 8 bytes long.
 Data: <  &#250;&#250;&#194;   > 00 00 FA FA C2 01 00 00 
{3834574} normal block at 0x000001C2FCB966E0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001C2FAFE6FF0, 8 bytes long.
 Data: < x&#185;&#252;&#194;   > 00 78 B9 FC C2 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001C2FAFF0AD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C2FAFD60D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001C2FAFF1D90, 16 bytes long.
 Data: <&#216;?&#255;&#250;&#194;           > D8 3F FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C2FAFF2600, 16 bytes long.
 Data: <&#176;?&#255;&#250;&#194;           > B0 3F FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C2FAFEC180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001C2FAFF1D40, 16 bytes long.
 Data: < ?&#255;&#250;&#194;           > 88 3F FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C2FAFF2060, 16 bytes long.
 Data: <`?&#255;&#250;&#194;           > 60 3F FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C2FAFF2510, 16 bytes long.
 Data: <8?&#255;&#250;&#194;           > 38 3F FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C2FAFF1CF0, 16 bytes long.
 Data: < ?&#255;&#250;&#194;           > 10 3F FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C2FAFEDBA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001C2FAFF1930, 16 bytes long.
 Data: <h`&#253;&#250;&#194;           > 68 60 FD FA C2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C2FAFEBDC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001C2FAFF2420, 16 bytes long.
 Data: <@`&#253;&#250;&#194;           > 40 60 FD FA C2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C2FAFF1C50, 16 bytes long.
 Data: < `&#253;&#250;&#194;           > 18 60 FD FA C2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C2FAFF23D0, 16 bytes long.
 Data: <&#240;_&#253;&#250;&#194;           > F0 5F FD FA C2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C2FAFF1C00, 16 bytes long.
 Data: <&#200;_&#253;&#250;&#194;           > C8 5F FD FA C2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C2FAFF2330, 16 bytes long.
 Data: <&#160;_&#253;&#250;&#194;           > A0 5F FD FA C2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C2FAFF1BB0, 16 bytes long.
 Data: <x_&#253;&#250;&#194;           > 78 5F FD FA C2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C2FAFEC780, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001C2FAFF26F0, 16 bytes long.
 Data: <P_&#253;&#250;&#194;           > 50 5F FD FA C2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C2FAFD5F50, 320 bytes long.
 Data: <&#240;&&#255;&#250;&#194;    &#199;&#254;&#250;&#194;   > F0 26 FF FA C2 01 00 00 80 C7 FE FA C2 01 00 00 
{278} normal block at 0x000001C2FAFF25B0, 16 bytes long.
 Data: <&#240;>&#255;&#250;&#194;           > F0 3E FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C2FAFF2740, 16 bytes long.
 Data: <&#200;>&#255;&#250;&#194;           > C8 3E FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C2FAFEBD00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001C2FAFF21A0, 16 bytes long.
 Data: <&#160;>&#255;&#250;&#194;           > A0 3E FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C2FAFEBD60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001C2FAFF2010, 16 bytes long.
 Data: <&#232;=&#255;&#250;&#194;           > E8 3D FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C2FAFF1FC0, 16 bytes long.
 Data: <&#192;=&#255;&#250;&#194;           > C0 3D FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C2FAFF1CA0, 16 bytes long.
 Data: < =&#255;&#250;&#194;           > 98 3D FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C2FAFF1DE0, 16 bytes long.
 Data: <p=&#255;&#250;&#194;           > 70 3D FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C2FAFF2650, 16 bytes long.
 Data: <H=&#255;&#250;&#194;           > 48 3D FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C2FAFF1F20, 16 bytes long.
 Data: < =&#255;&#250;&#194;           > 20 3D FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C2FAFF2560, 16 bytes long.
 Data: <0&#219;&#254;&#250;&#194;           > 30 DB FE FA C2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C2FAFEDB30, 40 bytes long.
 Data: <`%&#255;&#250;&#194;      &#252;&#194;   > 60 25 FF FA C2 01 00 00 20 10 9D FC C2 01 00 00 
{264} normal block at 0x000001C2FAFF24C0, 16 bytes long.
 Data: < =&#255;&#250;&#194;           > 00 3D FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C2FAFF22E0, 16 bytes long.
 Data: <&#216;<&#255;&#250;&#194;           > D8 3C FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C2FAFEBBE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001C2FAFF1B60, 16 bytes long.
 Data: <&#176;<&#255;&#250;&#194;           > B0 3C FF FA C2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C2FAFF3CB0, 992 bytes long.
 Data: <` &#255;&#250;&#194;   &#224;&#187;&#254;&#250;&#194;   > 60 1B FF FA C2 01 00 00 E0 BB FE FA C2 01 00 00 
{96} normal block at 0x000001C2FAFEBFA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001C2FAFE7900, 16 bytes long.
 Data: <&#176;&#215;&#254;&#250;&#194;           > B0 D7 FE FA C2 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001C2FAFED7B0, 40 bytes long.
 Data: < y&#254;&#250;&#194;   &#160;&#191;&#254;&#250;&#194;   > 00 79 FE FA C2 01 00 00 A0 BF FE FA C2 01 00 00 
{73} normal block at 0x000001C2FAFE78B0, 16 bytes long.
 Data: < &#234;&#210;&#150;&#246;           > 80 EA D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C2FAFE72C0, 16 bytes long.
 Data: <@&#233;&#210;&#150;&#246;           > 40 E9 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C2FAFE6AF0, 16 bytes long.
 Data: <&#248;W&#207;&#150;&#246;           > F8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C2FAFE7400, 16 bytes long.
 Data: <&#216;W&#207;&#150;&#246;           > D8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C2FAFE76D0, 16 bytes long.
 Data: <P &#207;&#150;&#246;           > 50 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C2FAFE6E10, 16 bytes long.
 Data: <0 &#207;&#150;&#246;           > 30 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C2FAFE71D0, 16 bytes long.
 Data: <&#224; &#207;&#150;&#246;           > E0 02 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C2FAFE70E0, 16 bytes long.
 Data: <  &#207;&#150;&#246;           > 10 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C2FAFE6DC0, 16 bytes long.
 Data: <p &#207;&#150;&#246;           > 70 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C2FAFE7180, 16 bytes long.
 Data: < &#192;&#205;&#150;&#246;           > 18 C0 CD 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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