Task 38671775

Name test_208-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND1599_0
Workunit 31613961
Created 25 Oct 2026, 21:33:25 UTC
Sent 25 Oct 2026, 21:33:32 UTC
Report deadline 30 Oct 2026, 21:33:32 UTC
Received 25 Oct 2026, 22:31:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 14 min 42 sec
CPU time 13 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.68 MB
Peak swap size 13.04 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
23:17:06 (15556): wrapper (7.9.26016): starting
23:17:06 (15556): 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
23:17:07 (15556): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:17:07 (15556): 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:\DataBOINC\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:\DataBOINC\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
23:31:14 (15556): C:/Windows/system32/cmd.exe exited; CPU time 805.859375
23:31:14 (15556): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 13421717 bytes.
Dumping objects ->
{3835610} normal block at 0x0000024B48695370, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835599} normal block at 0x0000024B4A531C20, 32 bytes long.
 Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835588} normal block at 0x0000024B4A531D40, 32 bytes long.
 Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43 
{3835577} normal block at 0x0000024B4A532100, 32 bytes long.
 Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835566} normal block at 0x0000024B4A532940, 32 bytes long.
 Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F 
{3835535} normal block at 0x0000024B48695140, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835524} normal block at 0x0000024B4A4FF660, 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) : {3835521} normal block at 0x0000024B4868D940, 8 bytes long.
 Data: <  &#189;HK   > 00 00 BD 48 4B 02 00 00 
{3834715} normal block at 0x0000024B4A4FEAB0, 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 0x0000024B4868E250, 8 bytes long.
 Data: < YWJK   > 80 59 57 4A 4B 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024B48691B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024B486870A0, 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 0x0000024B48695F00, 16 bytes long.
 Data: <xniHK           > 78 6E 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024B48695C80, 16 bytes long.
 Data: <PniHK           > 50 6E 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024B4868FB50, 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 0x0000024B48695E60, 16 bytes long.
 Data: <(niHK           > 28 6E 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024B48695E10, 16 bytes long.
 Data: < niHK           > 00 6E 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024B48696540, 16 bytes long.
 Data: <&#216;miHK           > D8 6D 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024B48696310, 16 bytes long.
 Data: <&#176;miHK           > B0 6D 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024B48695300, 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 0x0000024B48695DC0, 16 bytes long.
 Data: <x&#148;hHK           > 78 94 68 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024B4868FCD0, 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 0x0000024B486963B0, 16 bytes long.
 Data: <P&#148;hHK           > 50 94 68 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024B486962C0, 16 bytes long.
 Data: <(&#148;hHK           > 28 94 68 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024B48696270, 16 bytes long.
 Data: < &#148;hHK           > 00 94 68 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024B48696180, 16 bytes long.
 Data: <&#216;&#147;hHK           > D8 93 68 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024B48696860, 16 bytes long.
 Data: <&#176;&#147;hHK           > B0 93 68 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024B48696130, 16 bytes long.
 Data: < &#147;hHK           > 88 93 68 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024B48690270, 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 0x0000024B48696810, 16 bytes long.
 Data: <`&#147;hHK           > 60 93 68 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024B48689360, 320 bytes long.
 Data: < hiHK   p iHK   > 10 68 69 48 4B 02 00 00 70 02 69 48 4B 02 00 00 
{276} normal block at 0x0000024B486966D0, 16 bytes long.
 Data: < miHK           > 90 6D 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024B48695EB0, 16 bytes long.
 Data: <hmiHK           > 68 6D 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024B4868FE50, 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 0x0000024B486960E0, 16 bytes long.
 Data: <@miHK           > 40 6D 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024B4868FFD0, 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 0x0000024B48696220, 16 bytes long.
 Data: < liHK           > 88 6C 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024B48695D70, 16 bytes long.
 Data: <`liHK           > 60 6C 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024B48696040, 16 bytes long.
 Data: <8liHK           > 38 6C 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024B48695C30, 16 bytes long.
 Data: < liHK           > 10 6C 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024B48695BE0, 16 bytes long.
 Data: <&#232;kiHK           > E8 6B 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024B48695B90, 16 bytes long.
 Data: <&#192;kiHK           > C0 6B 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024B48695D20, 16 bytes long.
 Data: <&#240;OiHK           > F0 4F 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024B48694FF0, 40 bytes long.
 Data: < ]iHK   @QiHK   > 20 5D 69 48 4B 02 00 00 40 51 69 48 4B 02 00 00 
{262} normal block at 0x0000024B48696450, 16 bytes long.
 Data: <&#160;kiHK           > A0 6B 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024B48695FF0, 16 bytes long.
 Data: <xkiHK           > 78 6B 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024B4868FC70, 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 0x0000024B48695CD0, 16 bytes long.
 Data: <PkiHK           > 50 6B 69 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024B48696B50, 992 bytes long.
 Data: <&#208;\iHK   p&#252;hHK   > D0 5C 69 48 4B 02 00 00 70 FC 68 48 4B 02 00 00 
{94} normal block at 0x0000024B4868FD90, 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 0x0000024B4868E200, 16 bytes long.
 Data: <p&#247;gHK           > 70 F7 67 48 4B 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024B4867F770, 40 bytes long.
 Data: < &#226;hHK    &#253;hHK   > 00 E2 68 48 4B 02 00 00 90 FD 68 48 4B 02 00 00 
{71} normal block at 0x0000024B4868DCB0, 16 bytes long.
 Data: < &#234;>7&#246;           > 80 EA 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024B4868E1B0, 16 bytes long.
 Data: <@&#233;>7&#246;           > 40 E9 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024B4868E160, 16 bytes long.
 Data: <&#248;W;7&#246;           > F8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024B4868DD00, 16 bytes long.
 Data: <&#216;W;7&#246;           > D8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024B4868DDF0, 16 bytes long.
 Data: <P ;7&#246;           > 50 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024B4868DDA0, 16 bytes long.
 Data: <0 ;7&#246;           > 30 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024B4868E0C0, 16 bytes long.
 Data: <&#224; ;7&#246;           > E0 02 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024B4868D760, 16 bytes long.
 Data: <  ;7&#246;           > 10 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024B4868DD50, 16 bytes long.
 Data: <p ;7&#246;           > 70 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024B4868E070, 16 bytes long.
 Data: < &#192;97&#246;           > 18 C0 39 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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