Task 38674022

Name test_40-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND8339_0
Workunit 31616074
Created 26 Oct 2026, 4:04:38 UTC
Sent 26 Oct 2026, 4:04:42 UTC
Report deadline 31 Oct 2026, 4:04:42 UTC
Received 26 Oct 2026, 7:02:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629400
Run time 1 hours 0 min 37 sec
CPU time 1 hours 0 min 37 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 708.00 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>
06:54:04 (15332): wrapper (7.9.26016): starting
06:54:04 (15332): 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
06:54:33 (15332): Library/usr/bin/tar.exe exited; CPU time 0.125000
06:54:33 (15332): 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\1\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\1\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
09:01:41 (15332): C:/Windows/system32/cmd.exe exited; CPU time 3637.484375
09:01:41 (15332): 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: 94694302 bytes.
Dumping objects ->
{3835460} normal block at 0x000001593F495AB0, 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 0x0000015941603E60, 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 0x00000159416044C0, 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 0x0000015941604160, 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 0x0000015941603440, 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 0x000001593F4957A0, 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 0x000001594156B730, 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 0x000001593F467880, 8 bytes long.
 Data: <  d?Y   > 00 00 64 3F 59 01 00 00 
{3834651} normal block at 0x000001594156B690, 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 0x000001593F467740, 8 bytes long.
 Data: <&#208; `AY   > D0 88 60 41 59 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001593F4708A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001593F458CD0, 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 0x000001593F471D90, 16 bytes long.
 Data: < 1G?Y           > 08 31 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001593F471E30, 16 bytes long.
 Data: <&#224;0G?Y           > E0 30 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001593F46BF00, 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 0x000001593F472740, 16 bytes long.
 Data: <&#184;0G?Y           > B8 30 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001593F471AC0, 16 bytes long.
 Data: < 0G?Y           > 90 30 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001593F471C00, 16 bytes long.
 Data: <h0G?Y           > 68 30 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001593F472420, 16 bytes long.
 Data: <@0G?Y           > 40 30 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001593F46D430, 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 0x000001593F4727E0, 16 bytes long.
 Data: <H&#192;E?Y           > 48 C0 45 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001593F46C680, 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 0x000001593F4726F0, 16 bytes long.
 Data: < &#192;E?Y           > 20 C0 45 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001593F471A20, 16 bytes long.
 Data: <&#248;&#191;E?Y           > F8 BF 45 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001593F472920, 16 bytes long.
 Data: <&#208;&#191;E?Y           > D0 BF 45 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001593F4720B0, 16 bytes long.
 Data: <&#168;&#191;E?Y           > A8 BF 45 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001593F471F70, 16 bytes long.
 Data: < &#191;E?Y           > 80 BF 45 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001593F4728D0, 16 bytes long.
 Data: <X&#191;E?Y           > 58 BF 45 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001593F46C4A0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x000001593F4725B0, 16 bytes long.
 Data: <0&#191;E?Y           > 30 BF 45 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001593F45BF30, 320 bytes long.
 Data: <&#176;%G?Y   &#160;&#196;F?Y   > B0 25 47 3F 59 01 00 00 A0 C4 46 3F 59 01 00 00 
{270} normal block at 0x000001593F472290, 16 bytes long.
 Data: < 0G?Y           > 20 30 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001593F471D40, 16 bytes long.
 Data: <&#248;/G?Y           > F8 2F 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001593F46C620, 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 0x000001593F4721F0, 16 bytes long.
 Data: <&#208;/G?Y           > D0 2F 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001593F46C6E0, 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 0x000001593F471BB0, 16 bytes long.
 Data: < /G?Y           > 18 2F 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001593F4723D0, 16 bytes long.
 Data: <&#240;.G?Y           > F0 2E 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001593F4724C0, 16 bytes long.
 Data: <&#200;.G?Y           > C8 2E 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001593F472380, 16 bytes long.
 Data: <&#160;.G?Y           > A0 2E 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001593F472010, 16 bytes long.
 Data: <x.G?Y           > 78 2E 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001593F471DE0, 16 bytes long.
 Data: <P.G?Y           > 50 2E 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001593F472100, 16 bytes long.
 Data: <&#176;&#215;F?Y           > B0 D7 46 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001593F46D7B0, 40 bytes long.
 Data: < !G?Y   &#160;WI?Y   > 00 21 47 3F 59 01 00 00 A0 57 49 3F 59 01 00 00 
{256} normal block at 0x000001593F4722E0, 16 bytes long.
 Data: <0.G?Y           > 30 2E 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001593F471B10, 16 bytes long.
 Data: < .G?Y           > 08 2E 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001593F46BBA0, 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 0x000001593F471FC0, 16 bytes long.
 Data: <&#224;-G?Y           > E0 2D 47 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001593F472DE0, 992 bytes long.
 Data: <&#192; G?Y   &#160;&#187;F?Y   > C0 1F 47 3F 59 01 00 00 A0 BB 46 3F 59 01 00 00 
{88} normal block at 0x000001593F46B900, 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 0x000001593F467470, 16 bytes long.
 Data: <0&#219;F?Y           > 30 DB 46 3F 59 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001593F46DB30, 40 bytes long.
 Data: <ptF?Y    &#185;F?Y   > 70 74 46 3F 59 01 00 00 00 B9 46 3F 59 01 00 00 
{65} normal block at 0x000001593F4676F0, 16 bytes long.
 Data: < &#234;&#249;&#154;&#247;           > 80 EA F9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001593F467380, 16 bytes long.
 Data: <@&#233;&#249;&#154;&#247;           > 40 E9 F9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001593F467650, 16 bytes long.
 Data: <&#248;W&#246;&#154;&#247;           > F8 57 F6 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001593F466FC0, 16 bytes long.
 Data: <&#216;W&#246;&#154;&#247;           > D8 57 F6 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001593F466B10, 16 bytes long.
 Data: <P &#246;&#154;&#247;           > 50 04 F6 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001593F467600, 16 bytes long.
 Data: <0 &#246;&#154;&#247;           > 30 04 F6 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001593F466ED0, 16 bytes long.
 Data: <&#224; &#246;&#154;&#247;           > E0 02 F6 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001593F466E80, 16 bytes long.
 Data: <  &#246;&#154;&#247;           > 10 04 F6 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001593F467240, 16 bytes long.
 Data: <p &#246;&#154;&#247;           > 70 04 F6 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001593F466CA0, 16 bytes long.
 Data: < &#192;&#244;&#154;&#247;           > 18 C0 F4 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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