Task 38670982

Name test_430-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND6800_0
Workunit 31613205
Created 25 Oct 2026, 19:10:11 UTC
Sent 25 Oct 2026, 19:10:24 UTC
Report deadline 30 Oct 2026, 19:10:24 UTC
Received 25 Oct 2026, 19:55:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619058
Run time 20 min 24 sec
CPU time 18 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.67 MB
Peak swap size 13.14 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:35:55 (10936): wrapper (7.9.26016): starting
13:35:55 (10936): 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
13:35:56 (10936): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:35:56 (10936): 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\6\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\6\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
13:55:15 (10936): C:/Windows/system32/cmd.exe exited; CPU time 1138.765625
13:55:15 (10936): 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: 29573917 bytes.
Dumping objects ->
{3835217} normal block at 0x0000024BDD9F5BA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000024BDD9F5890, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000024BDD9F5820, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x0000024BDD9F57B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x0000024BDD9F5A50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x0000024BDF6B6D40, 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) : {3835129} normal block at 0x0000024BDD9EDE00, 8 bytes long.
 Data: <  &#221;&#221;K   > 00 00 DD DD 4B 02 00 00 
{3833963} normal block at 0x0000024BDD9EDFE0, 8 bytes long.
 Data: <`&#234;\&#223;K   > 60 EA 5C DF 4B 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024BDD9F1A60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024BDD9E76C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000024BDD9F6D30, 16 bytes long.
 Data: < s&#159;&#221;K           > 98 73 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024BDD9F6240, 16 bytes long.
 Data: <ps&#159;&#221;K           > 70 73 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024BDD9F0250, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000024BDD9F61A0, 16 bytes long.
 Data: <Hs&#159;&#221;K           > 48 73 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024BDD9F6380, 16 bytes long.
 Data: < s&#159;&#221;K           > 20 73 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024BDD9F6920, 16 bytes long.
 Data: <&#248;r&#159;&#221;K           > F8 72 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024BDD9F6BF0, 16 bytes long.
 Data: <&#208;r&#159;&#221;K           > D0 72 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024BDD9F54A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000024BDD9F68D0, 16 bytes long.
 Data: < &#235; &#221;K           > 98 EB 9D DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024BDD9F00D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000024BDD9F61F0, 16 bytes long.
 Data: <p&#235; &#221;K           > 70 EB 9D DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024BDD9F6150, 16 bytes long.
 Data: <H&#235; &#221;K           > 48 EB 9D DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024BDD9F6100, 16 bytes long.
 Data: < &#235; &#221;K           > 20 EB 9D DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024BDD9F6A10, 16 bytes long.
 Data: <&#248;&#234; &#221;K           > F8 EA 9D DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024BDD9F69C0, 16 bytes long.
 Data: <&#208;&#234; &#221;K           > D0 EA 9D DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024BDD9F6FB0, 16 bytes long.
 Data: <&#168;&#234; &#221;K           > A8 EA 9D DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024BDD9F02B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000024BDD9F6BA0, 16 bytes long.
 Data: < &#234; &#221;K           > 80 EA 9D DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024BDD9DEA80, 320 bytes long.
 Data: <&#160;k&#159;&#221;K   &#176; &#159;&#221;K   > A0 6B 9F DD 4B 02 00 00 B0 02 9F DD 4B 02 00 00 
{277} normal block at 0x0000024BDD9F7000, 16 bytes long.
 Data: <&#176;r&#159;&#221;K           > B0 72 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024BDD9F6E20, 16 bytes long.
 Data: < r&#159;&#221;K           > 88 72 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024BDD9F0190, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000024BDD9F6F60, 16 bytes long.
 Data: <`r&#159;&#221;K           > 60 72 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024BDD9EFBF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000024BDD9F6F10, 16 bytes long.
 Data: <&#168;q&#159;&#221;K           > A8 71 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024BDD9F60B0, 16 bytes long.
 Data: < q&#159;&#221;K           > 80 71 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024BDD9F6740, 16 bytes long.
 Data: <Xq&#159;&#221;K           > 58 71 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024BDD9F6DD0, 16 bytes long.
 Data: <0q&#159;&#221;K           > 30 71 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024BDD9F6B00, 16 bytes long.
 Data: < q&#159;&#221;K           > 08 71 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024BDD9F67E0, 16 bytes long.
 Data: <&#224;p&#159;&#221;K           > E0 70 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024BDD9F6CE0, 16 bytes long.
 Data: <@W&#159;&#221;K           > 40 57 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024BDD9F5740, 40 bytes long.
 Data: <&#224;l&#159;&#221;K   @mk&#223;K   > E0 6C 9F DD 4B 02 00 00 40 6D 6B DF 4B 02 00 00 
{263} normal block at 0x0000024BDD9F6EC0, 16 bytes long.
 Data: <&#192;p&#159;&#221;K           > C0 70 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024BDD9F6330, 16 bytes long.
 Data: < p&#159;&#221;K           > 98 70 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024BDD9F0010, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000024BDD9F66A0, 16 bytes long.
 Data: <pp&#159;&#221;K           > 70 70 9F DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024BDD9F7070, 992 bytes long.
 Data: <&#160;f&#159;&#221;K     &#159;&#221;K   > A0 66 9F DD 4B 02 00 00 10 00 9F DD 4B 02 00 00 
{95} normal block at 0x0000024BDD9EFFB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000024BDD9EE350, 16 bytes long.
 Data: <0&#245; &#221;K           > 30 F5 9D DD 4B 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000024BDD9DF530, 40 bytes long.
 Data: <P&#227;&#158;&#221;K   &#176;&#255;&#158;&#221;K   > 50 E3 9E DD 4B 02 00 00 B0 FF 9E DD 4B 02 00 00 
{72} normal block at 0x0000024BDD9EE3A0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024BDD9EDA90, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024BDD9EE300, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024BDD9ED9F0, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024BDD9EE6C0, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024BDD9EE260, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024BDD9EE210, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024BDD9EDDB0, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024BDD9EE490, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024BDD9EE1C0, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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