Task 38667293

Name test_55-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND9258_0
Workunit 31609942
Created 25 Oct 2026, 7:15:50 UTC
Sent 25 Oct 2026, 7:16:03 UTC
Report deadline 30 Oct 2026, 7:16:03 UTC
Received 25 Oct 2026, 9:50:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640581
Run time 55 min 16 sec
CPU time 55 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.59 MB
Peak swap size 12.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
09:53:10 (3200): wrapper (7.9.26016): starting
09:53:10 (3200): 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
09:53:11 (3200): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:53:11 (3200): 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\5\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\5\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
10:49:28 (3200): C:/Windows/system32/cmd.exe exited; CPU time 3316.875000
10:49:28 (3200): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 51101279 bytes.
Dumping objects ->
{3835259} normal block at 0x0000023B02FAF1C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000023B02FAF380, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000023B02FAF460, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835226} normal block at 0x0000023B02FAF8C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000023B011E4C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835184} normal block at 0x0000023B0302B100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x0000023B0303E9C0, 102 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) : {3835170} normal block at 0x0000023B011DED80, 8 bytes long.
 Data: <  h ;   > 00 00 68 01 3B 02 00 00 
{3834557} normal block at 0x0000023B0303E7B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000023B011DEEC0, 8 bytes long.
 Data: <PS  ;   > 50 53 0B 03 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000023B011E12A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023B011D6C80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000023B011E5560, 16 bytes long.
 Data: <&#248;g  ;           > F8 67 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023B011E5510, 16 bytes long.
 Data: <&#208;g  ;           > D0 67 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023B011E08D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000023B011E5880, 16 bytes long.
 Data: <&#168;g  ;           > A8 67 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023B011E5BA0, 16 bytes long.
 Data: < g  ;           > 80 67 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023B011E62D0, 16 bytes long.
 Data: <Xg  ;           > 58 67 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023B011E5E70, 16 bytes long.
 Data: <0g  ;           > 30 67 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023B011E4F20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000023B011E6230, 16 bytes long.
 Data: <&#232;&#182;  ;           > E8 B6 1C 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023B011E0630, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000023B011E5790, 16 bytes long.
 Data: <&#192;&#182;  ;           > C0 B6 1C 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023B011E5E20, 16 bytes long.
 Data: < &#182;  ;           > 98 B6 1C 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023B011E5D30, 16 bytes long.
 Data: <p&#182;  ;           > 70 B6 1C 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023B011E6320, 16 bytes long.
 Data: <H&#182;  ;           > 48 B6 1C 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023B011E5830, 16 bytes long.
 Data: < &#182;  ;           > 20 B6 1C 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023B011E5740, 16 bytes long.
 Data: <&#248;&#181;  ;           > F8 B5 1C 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023B011E02D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000023B011E5FB0, 16 bytes long.
 Data: <&#208;&#181;  ;           > D0 B5 1C 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023B011CB5D0, 320 bytes long.
 Data: <&#176;_  ;   &#208;   ;   > B0 5F 1E 01 3B 02 00 00 D0 02 1E 01 3B 02 00 00 
{276} normal block at 0x0000023B011E6280, 16 bytes long.
 Data: < g  ;           > 10 67 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023B011E56F0, 16 bytes long.
 Data: <&#232;f  ;           > E8 66 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023B011E0270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000023B011E6460, 16 bytes long.
 Data: <&#192;f  ;           > C0 66 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023B011E0090, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000023B011E6050, 16 bytes long.
 Data: < f  ;           > 08 66 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023B011E57E0, 16 bytes long.
 Data: <&#224;e  ;           > E0 65 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023B011E58D0, 16 bytes long.
 Data: <&#184;e  ;           > B8 65 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023B011E63C0, 16 bytes long.
 Data: < e  ;           > 90 65 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023B011E5F60, 16 bytes long.
 Data: <he  ;           > 68 65 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023B011E5D80, 16 bytes long.
 Data: <@e  ;           > 40 65 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023B011E5AB0, 16 bytes long.
 Data: <@N  ;           > 40 4E 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023B011E4E40, 40 bytes long.
 Data: <&#176;Z  ;    &#177;  ;   > B0 5A 1E 01 3B 02 00 00 00 B1 02 03 3B 02 00 00 
{262} normal block at 0x0000023B011E6410, 16 bytes long.
 Data: < e  ;           > 20 65 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023B011E5600, 16 bytes long.
 Data: <&#248;d  ;           > F8 64 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023B011DFAF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000023B011E56A0, 16 bytes long.
 Data: <&#208;d  ;           > D0 64 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023B011E64D0, 992 bytes long.
 Data: <&#160;V  ;   &#240;&#250;  ;   > A0 56 1E 01 3B 02 00 00 F0 FA 1D 01 3B 02 00 00 
{94} normal block at 0x0000023B011E01B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000023B011DF550, 16 bytes long.
 Data: <&#176;N  ;           > B0 4E 1E 01 3B 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000023B011E4EB0, 40 bytes long.
 Data: <P&#245;  ;   &#176;   ;   > 50 F5 1D 01 3B 02 00 00 B0 01 1E 01 3B 02 00 00 
{71} normal block at 0x0000023B011DF000, 16 bytes long.
 Data: < &#234;ML&#247;           > 80 EA 4D 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023B011DEE20, 16 bytes long.
 Data: <@&#233;ML&#247;           > 40 E9 4D 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023B011DF5F0, 16 bytes long.
 Data: <&#248;WJL&#247;           > F8 57 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023B011DEB50, 16 bytes long.
 Data: <&#216;WJL&#247;           > D8 57 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023B011DF0F0, 16 bytes long.
 Data: <P JL&#247;           > 50 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023B011DEC40, 16 bytes long.
 Data: <0 JL&#247;           > 30 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023B011DF140, 16 bytes long.
 Data: <&#224; JL&#247;           > E0 02 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023B011DEBA0, 16 bytes long.
 Data: <  JL&#247;           > 10 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023B011DEDD0, 16 bytes long.
 Data: <p JL&#247;           > 70 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023B011DF1E0, 16 bytes long.
 Data: < &#192;HL&#247;           > 18 C0 48 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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