Task 38689639

Name test_506-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4928_0
Workunit 31630874
Created 28 Oct 2026, 22:29:07 UTC
Sent 28 Oct 2026, 22:29:11 UTC
Report deadline 2 Nov 2026, 22:29:11 UTC
Received 28 Oct 2026, 23:08:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618582
Run time 31 min 8 sec
CPU time 19 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.10 MB
Peak swap size 13.16 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:37:47 (24368): wrapper (7.9.26016): starting
15:37:47 (24368): 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
15:37:50 (24368): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:37:52 (24368): 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\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 'C:\ProgramData\BOINC\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
16:07:49 (24368): C:/Windows/system32/cmd.exe exited; CPU time 1185.203125
16:07:49 (24368): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 19210437 bytes.
Dumping objects ->
{3835569} normal block at 0x0000019A56EDBAC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x0000019A550E44A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x0000019A550E4430, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x0000019A550E43C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x0000019A550E4970, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x0000019A56F276C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x0000019A5510A0A0, 155 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) : {3835480} normal block at 0x0000019A550DE630, 8 bytes long.
 Data: <  hU&#154;   > 00 00 68 55 9A 01 00 00 
{3834699} normal block at 0x0000019A551099A0, 155 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 0x0000019A550DE400, 8 bytes long.
 Data: <`K&#251;V&#154;   > 60 4B FB 56 9A 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000019A550E0290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019A550D5770, 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 0x0000019A550E5B30, 16 bytes long.
 Data: < _ U&#154;           > 18 5F 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019A550E5450, 16 bytes long.
 Data: <&#240;^ U&#154;           > F0 5E 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019A550DF520, 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 0x0000019A550E4D20, 16 bytes long.
 Data: <&#200;^ U&#154;           > C8 5E 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019A550E52C0, 16 bytes long.
 Data: <&#160;^ U&#154;           > A0 5E 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019A550E4F00, 16 bytes long.
 Data: <x^ U&#154;           > 78 5E 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019A550E5540, 16 bytes long.
 Data: <P^ U&#154;           > 50 5E 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019A550E4270, 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 0x0000019A550E50E0, 16 bytes long.
 Data: <x&#221; U&#154;           > 78 DD 0D 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019A550DFBE0, 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 0x0000019A550E4CD0, 16 bytes long.
 Data: <P&#221; U&#154;           > 50 DD 0D 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019A550E5720, 16 bytes long.
 Data: <(&#221; U&#154;           > 28 DD 0D 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019A550E5A90, 16 bytes long.
 Data: < &#221; U&#154;           > 00 DD 0D 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019A550E4FA0, 16 bytes long.
 Data: <&#216;&#220; U&#154;           > D8 DC 0D 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019A550E5630, 16 bytes long.
 Data: <&#176;&#220; U&#154;           > B0 DC 0D 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019A550E4EB0, 16 bytes long.
 Data: < &#220; U&#154;           > 88 DC 0D 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019A550DEF80, 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 0x0000019A550E51D0, 16 bytes long.
 Data: <`&#220; U&#154;           > 60 DC 0D 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019A550DDC60, 320 bytes long.
 Data: <&#208;Q U&#154;    &#239; U&#154;   > D0 51 0E 55 9A 01 00 00 80 EF 0D 55 9A 01 00 00 
{276} normal block at 0x0000019A550E5900, 16 bytes long.
 Data: <0^ U&#154;           > 30 5E 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019A550E4DC0, 16 bytes long.
 Data: < ^ U&#154;           > 08 5E 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019A550DFB20, 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 0x0000019A550E59F0, 16 bytes long.
 Data: <&#224;] U&#154;           > E0 5D 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019A550DF6A0, 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 0x0000019A550E55E0, 16 bytes long.
 Data: <(] U&#154;           > 28 5D 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019A550E5180, 16 bytes long.
 Data: < ] U&#154;           > 00 5D 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019A550E56D0, 16 bytes long.
 Data: <&#216;\ U&#154;           > D8 5C 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019A550E58B0, 16 bytes long.
 Data: <&#176;\ U&#154;           > B0 5C 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019A550E4C80, 16 bytes long.
 Data: < \ U&#154;           > 88 5C 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019A550E57C0, 16 bytes long.
 Data: <`\ U&#154;           > 60 5C 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019A550E4C30, 16 bytes long.
 Data: <&#208;F U&#154;           > D0 46 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019A550E46D0, 40 bytes long.
 Data: <0L U&#154;   &#192;v&#242;V&#154;   > 30 4C 0E 55 9A 01 00 00 C0 76 F2 56 9A 01 00 00 
{262} normal block at 0x0000019A550E4F50, 16 bytes long.
 Data: <@\ U&#154;           > 40 5C 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019A550E5090, 16 bytes long.
 Data: < \ U&#154;           > 18 5C 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019A550DF2E0, 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 0x0000019A550E54A0, 16 bytes long.
 Data: <&#240;[ U&#154;           > F0 5B 0E 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019A550E5BF0, 992 bytes long.
 Data: <&#160;T U&#154;   &#224;&#242; U&#154;   > A0 54 0E 55 9A 01 00 00 E0 F2 0D 55 9A 01 00 00 
{94} normal block at 0x0000019A550DFA60, 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 0x0000019A550DE0E0, 16 bytes long.
 Data: <&#176;&#239; U&#154;           > B0 EF 0C 55 9A 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000019A550CEFB0, 40 bytes long.
 Data: <&#224;&#224; U&#154;   `&#250; U&#154;   > E0 E0 0D 55 9A 01 00 00 60 FA 0D 55 9A 01 00 00 
{71} normal block at 0x0000019A550DED60, 16 bytes long.
 Data: < &#234;9&#149;&#246;           > 80 EA 39 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019A550DE3B0, 16 bytes long.
 Data: <@&#233;9&#149;&#246;           > 40 E9 39 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019A550DE9A0, 16 bytes long.
 Data: <&#248;W6&#149;&#246;           > F8 57 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019A550DE180, 16 bytes long.
 Data: <&#216;W6&#149;&#246;           > D8 57 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019A550DEC20, 16 bytes long.
 Data: <P 6&#149;&#246;           > 50 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019A550DE6D0, 16 bytes long.
 Data: <0 6&#149;&#246;           > 30 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019A550DDF00, 16 bytes long.
 Data: <&#224; 6&#149;&#246;           > E0 02 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019A550DDFA0, 16 bytes long.
 Data: <  6&#149;&#246;           > 10 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019A550DE8B0, 16 bytes long.
 Data: <p 6&#149;&#246;           > 70 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019A550DE9F0, 16 bytes long.
 Data: < &#192;4&#149;&#246;           > 18 C0 34 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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