Task 38688977

Name test_747-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND7757_0
Workunit 31630263
Created 28 Oct 2026, 17:19:40 UTC
Sent 28 Oct 2026, 17:19:45 UTC
Report deadline 2 Nov 2026, 17:19:45 UTC
Received 28 Oct 2026, 17:51:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615292
Run time 31 min 1 sec
CPU time 25 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,314.97 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.85 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:20:43 (14284): wrapper (7.9.26016): starting
11:20:43 (14284): 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
11:20:44 (14284): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:20:44 (14284): 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
11:50:58 (14284): C:/Windows/system32/cmd.exe exited; CPU time 1552.937500
11:50:58 (14284): 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: 28515561 bytes.
Dumping objects ->
{3835228} normal block at 0x0000027325F54230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000027325F54070, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000027325F54700, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835195} normal block at 0x0000027325F543F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000027325F54380, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835153} normal block at 0x0000027327CF4FF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x0000027327D0E2D0, 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) : {3835139} normal block at 0x0000027325F4EE30, 8 bytes long.
 Data: <  A&s   > 00 00 41 26 73 02 00 00 
{3834539} normal block at 0x0000027327D0EB10, 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 0x0000027325F4E570, 8 bytes long.
 Data: <p4&#213;'s   > 70 34 D5 27 73 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027325F50860, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027325F3F4D0, 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 0x0000027325F55410, 16 bytes long.
 Data: <Hb&#245;%s           > 48 62 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027325F55000, 16 bytes long.
 Data: < b&#245;%s           > 20 62 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027325F4F1F0, 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 0x0000027325F552D0, 16 bytes long.
 Data: <&#248;a&#245;%s           > F8 61 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027325F559B0, 16 bytes long.
 Data: <&#208;a&#245;%s           > D0 61 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027325F556E0, 16 bytes long.
 Data: <&#168;a&#245;%s           > A8 61 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027325F550F0, 16 bytes long.
 Data: < a&#245;%s           > 80 61 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027325F54540, 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 0x0000027325F55EB0, 16 bytes long.
 Data: <x&#181;&#243;%s           > 78 B5 F3 25 73 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027325F4FBB0, 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 0x0000027325F553C0, 16 bytes long.
 Data: <P&#181;&#243;%s           > 50 B5 F3 25 73 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027325F55DC0, 16 bytes long.
 Data: <(&#181;&#243;%s           > 28 B5 F3 25 73 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027325F558C0, 16 bytes long.
 Data: < &#181;&#243;%s           > 00 B5 F3 25 73 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027325F55640, 16 bytes long.
 Data: <&#216;&#180;&#243;%s           > D8 B4 F3 25 73 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027325F55820, 16 bytes long.
 Data: <&#176;&#180;&#243;%s           > B0 B4 F3 25 73 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027325F557D0, 16 bytes long.
 Data: < &#180;&#243;%s           > 88 B4 F3 25 73 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027325F4F9D0, 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 0x0000027325F55550, 16 bytes long.
 Data: <`&#180;&#243;%s           > 60 B4 F3 25 73 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027325F3B460, 320 bytes long.
 Data: <PU&#245;%s   &#208;&#249;&#244;%s   > 50 55 F5 25 73 02 00 00 D0 F9 F4 25 73 02 00 00 
{276} normal block at 0x0000027325F55960, 16 bytes long.
 Data: <`a&#245;%s           > 60 61 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027325F55870, 16 bytes long.
 Data: <8a&#245;%s           > 38 61 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027325F4F910, 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 0x0000027325F55500, 16 bytes long.
 Data: < a&#245;%s           > 10 61 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027325F4F130, 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 0x0000027325F554B0, 16 bytes long.
 Data: <X`&#245;%s           > 58 60 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027325F54FB0, 16 bytes long.
 Data: <0`&#245;%s           > 30 60 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027325F55A50, 16 bytes long.
 Data: < `&#245;%s           > 08 60 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027325F55780, 16 bytes long.
 Data: <&#224;_&#245;%s           > E0 5F F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027325F555F0, 16 bytes long.
 Data: <&#184;_&#245;%s           > B8 5F F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027325F55050, 16 bytes long.
 Data: < _&#245;%s           > 90 5F F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027325F550A0, 16 bytes long.
 Data: < C&#245;%s           > 10 43 F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027325F54310, 40 bytes long.
 Data: <&#160;P&#245;%s   &#240;O&#207;'s   > A0 50 F5 25 73 02 00 00 F0 4F CF 27 73 02 00 00 
{262} normal block at 0x0000027325F55E10, 16 bytes long.
 Data: <p_&#245;%s           > 70 5F F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027325F55E60, 16 bytes long.
 Data: <H_&#245;%s           > 48 5F F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027325F4F370, 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 0x0000027325F55910, 16 bytes long.
 Data: < _&#245;%s           > 20 5F F5 25 73 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027325F55F20, 992 bytes long.
 Data: < Y&#245;%s   p&#243;&#244;%s   > 10 59 F5 25 73 02 00 00 70 F3 F4 25 73 02 00 00 
{94} normal block at 0x0000027325F4F670, 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 0x0000027325F4EA70, 16 bytes long.
 Data: <&#192;&#223;&#244;%s           > C0 DF F4 25 73 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000027325F4DFC0, 40 bytes long.
 Data: <p&#234;&#244;%s   p&#246;&#244;%s   > 70 EA F4 25 73 02 00 00 70 F6 F4 25 73 02 00 00 
{71} normal block at 0x0000027325F4E110, 16 bytes long.
 Data: < &#234;~ &#246;           > 80 EA 7E 08 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027325F4E520, 16 bytes long.
 Data: <@&#233;~ &#246;           > 40 E9 7E 08 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027325F4EC50, 16 bytes long.
 Data: <&#248;W{ &#246;           > F8 57 7B 08 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027325F4EDE0, 16 bytes long.
 Data: <&#216;W{ &#246;           > D8 57 7B 08 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027325F4E390, 16 bytes long.
 Data: <P { &#246;           > 50 04 7B 08 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027325F4EE80, 16 bytes long.
 Data: <0 { &#246;           > 30 04 7B 08 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027325F4E160, 16 bytes long.
 Data: <&#224; { &#246;           > E0 02 7B 08 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027325F4E0C0, 16 bytes long.
 Data: <  { &#246;           > 10 04 7B 08 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027325F4E200, 16 bytes long.
 Data: <p { &#246;           > 70 04 7B 08 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027325F4E930, 16 bytes long.
 Data: < &#192;y &#246;           > 18 C0 79 08 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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