Task 38686032

Name test_9-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND7788_0
Workunit 31627481
Created 28 Oct 2026, 0:16:19 UTC
Sent 28 Oct 2026, 0:16:32 UTC
Report deadline 2 Nov 2026, 0:16:32 UTC
Received 28 Oct 2026, 1:18:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629400
Run time 58 min 15 sec
CPU time 55 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.86 MB
Peak swap size 2.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:20:23 (11888): wrapper (7.9.26016): starting
02:20:23 (11888): 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
02:20:25 (11888): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:20:25 (11888): 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 'E:\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 'E:\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
03:17:28 (11888): C:/Windows/system32/cmd.exe exited; CPU time 3328.359375
03:17:28 (11888): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 43763418 bytes.
Dumping objects ->
{3835460} normal block at 0x000001181C7F5500, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835449} normal block at 0x000001181E825680, 32 bytes long.
 Data: <HOME=E:\Boinc\sl> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835438} normal block at 0x000001181E824480, 32 bytes long.
 Data: <TMP=E:\Boinc\slo> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835427} normal block at 0x000001181E824F60, 32 bytes long.
 Data: <TEMP=E:\Boinc\sl> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835416} normal block at 0x000001181E8254A0, 32 bytes long.
 Data: <TMPDIR=E:\Boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 5C 
{3835385} normal block at 0x000001181C7F55E0, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835374} normal block at 0x000001181E7EAE50, 85 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) : {3835371} normal block at 0x000001181C7C7920, 8 bytes long.
 Data: <  &#234;     > 00 00 EA 1C 18 01 00 00 
{3834651} normal block at 0x000001181E7EB2B0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001181C7C74C0, 8 bytes long.
 Data: <&#176;%&#131;     > B0 25 83 1E 18 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001181C7D08A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001181C7B8CD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001181C7D1CF0, 16 bytes long.
 Data: < 1}             > 08 31 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001181C7D1C00, 16 bytes long.
 Data: <&#224;0}             > E0 30 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001181C7CBC60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001181C7D1BB0, 16 bytes long.
 Data: <&#184;0}             > B8 30 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001181C7D1B60, 16 bytes long.
 Data: < 0}             > 90 30 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001181C7D1B10, 16 bytes long.
 Data: <h0}             > 68 30 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001181C7D2010, 16 bytes long.
 Data: <@0}             > 40 30 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001181C7CD5F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001181C7D2880, 16 bytes long.
 Data: <H&#192;{             > 48 C0 7B 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001181C7CC140, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001181C7D27E0, 16 bytes long.
 Data: < &#192;{             > 20 C0 7B 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001181C7D21F0, 16 bytes long.
 Data: <&#248;&#191;{             > F8 BF 7B 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001181C7D2970, 16 bytes long.
 Data: <&#208;&#191;{             > D0 BF 7B 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001181C7D2290, 16 bytes long.
 Data: <&#168;&#191;{             > A8 BF 7B 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001181C7D2740, 16 bytes long.
 Data: < &#191;{             > 80 BF 7B 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001181C7D26F0, 16 bytes long.
 Data: <X&#191;{             > 58 BF 7B 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001181C7CC560, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001181C7D1FC0, 16 bytes long.
 Data: <0&#191;{             > 30 BF 7B 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001181C7BBF30, 320 bytes long.
 Data: <&#192; }     `&#197;|     > C0 1F 7D 1C 18 01 00 00 60 C5 7C 1C 18 01 00 00 
{270} normal block at 0x000001181C7D2600, 16 bytes long.
 Data: < 0}             > 20 30 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001181C7D1A70, 16 bytes long.
 Data: <&#248;/}             > F8 2F 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001181C7CBE40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001181C7D1A20, 16 bytes long.
 Data: <&#208;/}             > D0 2F 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001181C7CC2C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001181C7D2100, 16 bytes long.
 Data: < /}             > 18 2F 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001181C7D24C0, 16 bytes long.
 Data: <&#240;.}             > F0 2E 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001181C7D1D40, 16 bytes long.
 Data: <&#200;.}             > C8 2E 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001181C7D1CA0, 16 bytes long.
 Data: <&#160;.}             > A0 2E 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001181C7D1AC0, 16 bytes long.
 Data: <x.}             > 78 2E 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001181C7D26A0, 16 bytes long.
 Data: <P.}             > 50 2E 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001181C7D2510, 16 bytes long.
 Data: < &#213;|             > 80 D5 7C 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001181C7CD580, 40 bytes long.
 Data: < %}     &#224;U      > 10 25 7D 1C 18 01 00 00 E0 55 7F 1C 18 01 00 00 
{256} normal block at 0x000001181C7D1F70, 16 bytes long.
 Data: <0.}             > 30 2E 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001181C7D2470, 16 bytes long.
 Data: < .}             > 08 2E 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001181C7CC7A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001181C7D25B0, 16 bytes long.
 Data: <&#224;-}             > E0 2D 7D 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001181C7D2DE0, 992 bytes long.
 Data: <&#176;%}     &#160;&#199;|     > B0 25 7D 1C 18 01 00 00 A0 C7 7C 1C 18 01 00 00 
{88} normal block at 0x000001181C7CC380, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001181C7C70B0, 16 bytes long.
 Data: <&#160;&#212;|             > A0 D4 7C 1C 18 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001181C7CD4A0, 40 bytes long.
 Data: <&#176;p|      &#195;|     > B0 70 7C 1C 18 01 00 00 80 C3 7C 1C 18 01 00 00 
{65} normal block at 0x000001181C7C71A0, 16 bytes long.
 Data: < &#234;G &#246;           > 80 EA 47 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001181C7C79C0, 16 bytes long.
 Data: <@&#233;G &#246;           > 40 E9 47 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001181C7C6E80, 16 bytes long.
 Data: <&#248;WD &#246;           > F8 57 44 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001181C7C7740, 16 bytes long.
 Data: <&#216;WD &#246;           > D8 57 44 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001181C7C6C50, 16 bytes long.
 Data: <P D &#246;           > 50 04 44 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001181C7C7970, 16 bytes long.
 Data: <0 D &#246;           > 30 04 44 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001181C7C7470, 16 bytes long.
 Data: <&#224; D &#246;           > E0 02 44 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001181C7C75B0, 16 bytes long.
 Data: <  D &#246;           > 10 04 44 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001181C7C7060, 16 bytes long.
 Data: <p D &#246;           > 70 04 44 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001181C7C7420, 16 bytes long.
 Data: < &#192;B &#246;           > 18 C0 42 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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