Task 38682805

Name test_823-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND6152_0
Workunit 31624399
Created 27 Oct 2026, 9:12:03 UTC
Sent 27 Oct 2026, 9:12:05 UTC
Report deadline 1 Nov 2026, 9:12:05 UTC
Received 27 Oct 2026, 9:51:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626568
Run time 39 min 46 sec
CPU time 6 hours 39 min 42 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 743.44 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:29:36 (4540): wrapper (7.9.26016): starting
10:29:36 (4540): 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
10:29:38 (4540): Library/usr/bin/tar.exe exited; CPU time 22657.968750
10:29:38 (4540): 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
10:51:38 (4540): C:/Windows/system32/cmd.exe exited; CPU time 1324.421875
10:51:38 (4540): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 22339353 bytes.
Dumping objects ->
{3835329} normal block at 0x0000016601554680, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x0000016601554D10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x0000016601554840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x0000016601554C30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x0000016601554610, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x00000166014ACE30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000001667F8ECFD0, 140 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) : {3835240} normal block at 0x000001667F88D4C0, 8 bytes long.
 Data: <  &#132; f   > 00 00 84 7F 66 01 00 00 
{3834594} normal block at 0x000001667F8EDC00, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000001667F88D740, 8 bytes long.
 Data: <`@U f   > 60 40 55 01 66 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001667F8912C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001667F886840, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001667F896040, 16 bytes long.
 Data: <8h&#137; f           > 38 68 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001667F895F00, 16 bytes long.
 Data: < h&#137; f           > 10 68 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001667F88F630, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001667F8962C0, 16 bytes long.
 Data: <&#232;g&#137; f           > E8 67 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001667F895730, 16 bytes long.
 Data: <&#192;g&#137; f           > C0 67 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001667F8956E0, 16 bytes long.
 Data: < g&#137; f           > 98 67 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001667F895960, 16 bytes long.
 Data: <pg&#137; f           > 70 67 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001667F893AF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001667F895D20, 16 bytes long.
 Data: < &#182;&#135; f           > 88 B6 87 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001667F88F210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001667F895820, 16 bytes long.
 Data: <`&#182;&#135; f           > 60 B6 87 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001667F8957D0, 16 bytes long.
 Data: <8&#182;&#135; f           > 38 B6 87 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001667F895EB0, 16 bytes long.
 Data: < &#182;&#135; f           > 10 B6 87 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001667F895E60, 16 bytes long.
 Data: <&#232;&#181;&#135; f           > E8 B5 87 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001667F895780, 16 bytes long.
 Data: <&#192;&#181;&#135; f           > C0 B5 87 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001667F896220, 16 bytes long.
 Data: < &#181;&#135; f           > 98 B5 87 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001667F88F390, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001667F895E10, 16 bytes long.
 Data: <p&#181;&#135; f           > 70 B5 87 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001667F87B570, 320 bytes long.
 Data: < ^&#137; f    &#243;  f   > 10 5E 89 7F 66 01 00 00 90 F3 88 7F 66 01 00 00 
{279} normal block at 0x000001667F895640, 16 bytes long.
 Data: <Pg&#137; f           > 50 67 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001667F895690, 16 bytes long.
 Data: <(g&#137; f           > 28 67 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001667F88F9F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001667F895FA0, 16 bytes long.
 Data: < g&#137; f           > 00 67 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001667F88F1B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001667F895C80, 16 bytes long.
 Data: <Hf&#137; f           > 48 66 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001667F895B40, 16 bytes long.
 Data: < f&#137; f           > 20 66 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001667F895D70, 16 bytes long.
 Data: <&#248;e&#137; f           > F8 65 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001667F8955F0, 16 bytes long.
 Data: <&#208;e&#137; f           > D0 65 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001667F895DC0, 16 bytes long.
 Data: <&#168;e&#137; f           > A8 65 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001667F895B90, 16 bytes long.
 Data: < e&#137; f           > 80 65 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001667F895A50, 16 bytes long.
 Data: < :&#137; f           > 10 3A 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001667F893A10, 40 bytes long.
 Data: <PZ&#137; f   0&#206;J f   > 50 5A 89 7F 66 01 00 00 30 CE 4A 01 66 01 00 00 
{265} normal block at 0x000001667F895F50, 16 bytes long.
 Data: <`e&#137; f           > 60 65 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001667F895FF0, 16 bytes long.
 Data: <8e&#137; f           > 38 65 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001667F88F930, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001667F895A00, 16 bytes long.
 Data: < e&#137; f           > 10 65 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001667F896510, 992 bytes long.
 Data: < Z&#137; f   0&#249;  f   > 00 5A 89 7F 66 01 00 00 30 F9 88 7F 66 01 00 00 
{97} normal block at 0x000001667F88EAF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001667F88D510, 16 bytes long.
 Data: <p7&#137; f           > 70 37 89 7F 66 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001667F893770, 40 bytes long.
 Data: < &#213;  f   &#240;&#234;  f   > 10 D5 88 7F 66 01 00 00 F0 EA 88 7F 66 01 00 00 
{74} normal block at 0x000001667F88D380, 16 bytes long.
 Data: < &#234;&#196;~&#247;           > 80 EA C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001667F88DC40, 16 bytes long.
 Data: <@&#233;&#196;~&#247;           > 40 E9 C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001667F88DB50, 16 bytes long.
 Data: <&#248;W&#193;~&#247;           > F8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001667F88DFB0, 16 bytes long.
 Data: <&#216;W&#193;~&#247;           > D8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001667F88DD80, 16 bytes long.
 Data: <P &#193;~&#247;           > 50 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001667F88D3D0, 16 bytes long.
 Data: <0 &#193;~&#247;           > 30 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001667F88D790, 16 bytes long.
 Data: <&#224; &#193;~&#247;           > E0 02 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001667F88DB00, 16 bytes long.
 Data: <  &#193;~&#247;           > 10 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001667F88DBF0, 16 bytes long.
 Data: <p &#193;~&#247;           > 70 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001667F88DA60, 16 bytes long.
 Data: < &#192;&#191;~&#247;           > 18 C0 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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