Task 38685132

Name test_641-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND1874_0
Workunit 31626615
Created 27 Oct 2026, 19:33:50 UTC
Sent 27 Oct 2026, 19:33:54 UTC
Report deadline 1 Nov 2026, 19:33:54 UTC
Received 27 Oct 2026, 20:48:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 24 sec
CPU time 36 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.42 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:11:22 (16080): wrapper (7.9.26016): starting
21:11:22 (16080): 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
21:11:23 (16080): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:11:23 (16080): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
21:47:47 (16080): C:/Windows/system32/cmd.exe exited; CPU time 2192.437500
21:47:47 (16080): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 26576167 bytes.
Dumping objects ->
{3835238} normal block at 0x0000021B0F7116B0, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x0000021B0F7114F0, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x0000021B0F710A70, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x0000021B0F710BC0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x0000021B0F710ED0, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x0000021B0F7BE150, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x0000021B0F74A240, 160 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) : {3835149} normal block at 0x0000021B0DD07310, 8 bytes long.
 Data: <  &#206;     > 00 00 CE 0D 1B 02 00 00 
{3834546} normal block at 0x0000021B0F74A160, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000021B0DD07270, 8 bytes long.
 Data: <  t     > 20 0D 74 0F 1B 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000021B0DD13CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021B0DCF61F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000021B0DD15320, 16 bytes long.
 Data: < `&#209;             > 18 60 D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021B0DD15B90, 16 bytes long.
 Data: <&#240;_&#209;             > F0 5F D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021B0DD0BEB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000021B0DD14DD0, 16 bytes long.
 Data: <&#200;_&#209;             > C8 5F D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021B0DD15AF0, 16 bytes long.
 Data: <&#160;_&#209;             > A0 5F D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021B0DD15AA0, 16 bytes long.
 Data: <x_&#209;             > 78 5F D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021B0DD15A00, 16 bytes long.
 Data: <P_&#209;             > 50 5F D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021B0DD0DA30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000021B0DD15190, 16 bytes long.
 Data: < a&#207;             > 88 61 CF 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021B0DD0C4B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000021B0DD14F60, 16 bytes long.
 Data: <`a&#207;             > 60 61 CF 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021B0DD15140, 16 bytes long.
 Data: <8a&#207;             > 38 61 CF 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021B0DD159B0, 16 bytes long.
 Data: < a&#207;             > 10 61 CF 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021B0DD155A0, 16 bytes long.
 Data: <&#232;`&#207;             > E8 60 CF 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021B0DD15960, 16 bytes long.
 Data: <&#192;`&#207;             > C0 60 CF 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021B0DD15A50, 16 bytes long.
 Data: < `&#207;             > 98 60 CF 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021B0DD0BFD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000021B0DD15550, 16 bytes long.
 Data: <p`&#207;             > 70 60 CF 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021B0DCF6070, 320 bytes long.
 Data: <PU&#209;     &#208;&#191;&#208;     > 50 55 D1 0D 1B 02 00 00 D0 BF D0 0D 1B 02 00 00 
{270} normal block at 0x0000021B0DD150A0, 16 bytes long.
 Data: <0_&#209;             > 30 5F D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021B0DD15050, 16 bytes long.
 Data: < _&#209;             > 08 5F D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021B0DD0BC10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000021B0DD156E0, 16 bytes long.
 Data: <&#224;^&#209;             > E0 5E D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021B0DD0C690, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000021B0DD153C0, 16 bytes long.
 Data: <(^&#209;             > 28 5E D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021B0DD14EC0, 16 bytes long.
 Data: < ^&#209;             > 00 5E D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021B0DD15370, 16 bytes long.
 Data: <&#216;]&#209;             > D8 5D D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021B0DD152D0, 16 bytes long.
 Data: <&#176;]&#209;             > B0 5D D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021B0DD15910, 16 bytes long.
 Data: < ]&#209;             > 88 5D D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021B0DD15500, 16 bytes long.
 Data: <`]&#209;             > 60 5D D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021B0DD15280, 16 bytes long.
 Data: < &#223;&#208;             > 00 DF D0 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021B0DD0DF00, 40 bytes long.
 Data: < R&#209;     P&#225;{     > 80 52 D1 0D 1B 02 00 00 50 E1 7B 0F 1B 02 00 00 
{256} normal block at 0x0000021B0DD150F0, 16 bytes long.
 Data: <@]&#209;             > 40 5D D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021B0DD15C30, 16 bytes long.
 Data: < ]&#209;             > 18 5D D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021B0DD0C5D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000021B0DD15780, 16 bytes long.
 Data: <&#240;\&#209;             > F0 5C D1 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021B0DD15CF0, 992 bytes long.
 Data: < W&#209;     &#208;&#197;&#208;     > 80 57 D1 0D 1B 02 00 00 D0 C5 D0 0D 1B 02 00 00 
{88} normal block at 0x0000021B0DD0BE50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000021B0DD077C0, 16 bytes long.
 Data: <&#240;&#219;&#208;             > F0 DB D0 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000021B0DD0DBF0, 40 bytes long.
 Data: <&#192;w&#208;     P&#190;&#208;     > C0 77 D0 0D 1B 02 00 00 50 BE D0 0D 1B 02 00 00 
{65} normal block at 0x0000021B0DD06E10, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021B0DD079F0, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021B0DD07130, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021B0DD06FF0, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021B0DD071D0, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021B0DD06FA0, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021B0DD06F00, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021B0DD07A90, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021B0DD07180, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021B0DD07680, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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