Task 38675019

Name test_334-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND7879_0
Workunit 31617017
Created 26 Oct 2026, 7:01:15 UTC
Sent 26 Oct 2026, 7:01:18 UTC
Report deadline 31 Oct 2026, 7:01:18 UTC
Received 26 Oct 2026, 8:59:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630349
Run time 19 min 42 sec
CPU time 18 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,227.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.52 MB
Peak swap size 11.54 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:40:37 (29088): wrapper (7.9.26016): starting
01:40:37 (29088): 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
01:40:38 (29088): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:40:38 (29088): 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\16\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\16\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
01:59:29 (29088): C:/Windows/system32/cmd.exe exited; CPU time 1088.828125
01:59:29 (29088): 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: 25628313 bytes.
Dumping objects ->
{3835512} normal block at 0x000001B777F74F70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x000001B777F74F00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000001B777F74FE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x000001B777F754B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001B777F75440, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x000001B779D0B8B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x000001B779D1EEF0, 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) : {3835423} normal block at 0x000001B777F6EE90, 8 bytes long.
 Data: <  Cx&#183;   > 00 00 43 78 B7 01 00 00 
{3834678} normal block at 0x000001B779D1F050, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001B777F6FC50, 8 bytes long.
 Data: <&#160;&#218;&#245;w&#183;   > A0 DA F5 77 B7 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001B777F6E410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B777F66D40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001B777F760A0, 16 bytes long.
 Data: <&#168;l&#247;w&#183;           > A8 6C F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B777F76190, 16 bytes long.
 Data: < l&#247;w&#183;           > 80 6C F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B777F707B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001B777F76730, 16 bytes long.
 Data: <Xl&#247;w&#183;           > 58 6C F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B777F765F0, 16 bytes long.
 Data: <0l&#247;w&#183;           > 30 6C F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B777F75BF0, 16 bytes long.
 Data: < l&#247;w&#183;           > 08 6C F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B777F75EC0, 16 bytes long.
 Data: <&#224;k&#247;w&#183;           > E0 6B F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B777F753D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001B777F75CE0, 16 bytes long.
 Data: <&#248;&#245;&#245;w&#183;           > F8 F5 F5 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B777F701B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001B777F764B0, 16 bytes long.
 Data: <&#208;&#245;&#245;w&#183;           > D0 F5 F5 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B777F759C0, 16 bytes long.
 Data: <&#168;&#245;&#245;w&#183;           > A8 F5 F5 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B777F76140, 16 bytes long.
 Data: < &#245;&#245;w&#183;           > 80 F5 F5 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B777F768C0, 16 bytes long.
 Data: <X&#245;&#245;w&#183;           > 58 F5 F5 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B777F76550, 16 bytes long.
 Data: <0&#245;&#245;w&#183;           > 30 F5 F5 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B777F76910, 16 bytes long.
 Data: < &#245;&#245;w&#183;           > 08 F5 F5 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B777F70750, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001B777F76460, 16 bytes long.
 Data: <&#224;&#244;&#245;w&#183;           > E0 F4 F5 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B777F5F4E0, 320 bytes long.
 Data: <`d&#247;w&#183;   P &#247;w&#183;   > 60 64 F7 77 B7 01 00 00 50 07 F7 77 B7 01 00 00 
{275} normal block at 0x000001B777F75B00, 16 bytes long.
 Data: <&#192;k&#247;w&#183;           > C0 6B F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B777F76500, 16 bytes long.
 Data: < k&#247;w&#183;           > 98 6B F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B777F70CF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001B777F76640, 16 bytes long.
 Data: <pk&#247;w&#183;           > 70 6B F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B777F70AB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001B777F76000, 16 bytes long.
 Data: <&#184;j&#247;w&#183;           > B8 6A F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B777F763C0, 16 bytes long.
 Data: < j&#247;w&#183;           > 90 6A F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B777F76410, 16 bytes long.
 Data: <hj&#247;w&#183;           > 68 6A F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B777F76870, 16 bytes long.
 Data: <@j&#247;w&#183;           > 40 6A F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B777F767D0, 16 bytes long.
 Data: < j&#247;w&#183;           > 18 6A F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B777F766E0, 16 bytes long.
 Data: <&#240;i&#247;w&#183;           > F0 69 F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B777F76780, 16 bytes long.
 Data: <PP&#247;w&#183;           > 50 50 F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B777F75050, 40 bytes long.
 Data: < g&#247;w&#183;   &#176;&#184;&#208;y&#183;   > 80 67 F7 77 B7 01 00 00 B0 B8 D0 79 B7 01 00 00 
{261} normal block at 0x000001B777F75A10, 16 bytes long.
 Data: <&#208;i&#247;w&#183;           > D0 69 F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B777F75BA0, 16 bytes long.
 Data: <&#168;i&#247;w&#183;           > A8 69 F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B777F70C90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001B777F76370, 16 bytes long.
 Data: < i&#247;w&#183;           > 80 69 F7 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B777F76980, 992 bytes long.
 Data: <pc&#247;w&#183;     &#247;w&#183;   > 70 63 F7 77 B7 01 00 00 90 0C F7 77 B7 01 00 00 
{93} normal block at 0x000001B777F70450, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001B777F6FD40, 16 bytes long.
 Data: <0&#231;&#245;w&#183;           > 30 E7 F5 77 B7 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001B777F5E730, 40 bytes long.
 Data: <@&#253;&#246;w&#183;   P &#247;w&#183;   > 40 FD F6 77 B7 01 00 00 50 04 F7 77 B7 01 00 00 
{70} normal block at 0x000001B777F6FBB0, 16 bytes long.
 Data: < &#234;&#193;d&#246;           > 80 EA C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B777F6EF30, 16 bytes long.
 Data: <@&#233;&#193;d&#246;           > 40 E9 C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B777F6F750, 16 bytes long.
 Data: <&#248;W&#190;d&#246;           > F8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B777F6EF80, 16 bytes long.
 Data: <&#216;W&#190;d&#246;           > D8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B777F6F890, 16 bytes long.
 Data: <P &#190;d&#246;           > 50 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B777F6F020, 16 bytes long.
 Data: <0 &#190;d&#246;           > 30 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B777F6FB60, 16 bytes long.
 Data: <&#224; &#190;d&#246;           > E0 02 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B777F6EFD0, 16 bytes long.
 Data: <  &#190;d&#246;           > 10 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B777F6F0C0, 16 bytes long.
 Data: <p &#190;d&#246;           > 70 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B777F6F840, 16 bytes long.
 Data: < &#192;&#188;d&#246;           > 18 C0 BC 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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