Task 38697124

Name test_124-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND8708_1
Workunit 31624447
Created 1 Nov 2026, 9:26:41 UTC
Sent 1 Nov 2026, 9:26:43 UTC
Report deadline 6 Nov 2026, 9:26:43 UTC
Received 1 Nov 2026, 10:47:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655011
Run time 1 hours 17 min 9 sec
CPU time 1 hours 12 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 640.52 MB
Peak swap size 2.31 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:30:02 (8072): wrapper (7.9.26016): starting
10:30:02 (8072): 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
10:30:04 (8072): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:30:04 (8072): 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\2\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\2\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
11:46:42 (8072): C:/Windows/system32/cmd.exe exited; CPU time 4341.593750
11:46:42 (8072): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 52215389 bytes.
Dumping objects ->
{3835177} normal block at 0x000002DE36FC83B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x000002DE36FC7B60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x000002DE354406D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835144} normal block at 0x000002DE35440660, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000002DE35440B30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835102} normal block at 0x000002DE36EDB580, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835089} normal block at 0x000002DE35436E20, 8 bytes long.
 Data: <  75&#222;   > 00 00 37 35 DE 02 00 00 
{3833945} normal block at 0x000002DE35436AB0, 8 bytes long.
 Data: <P~F5&#222;   > 50 7E 46 35 DE 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002DE35440E70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002DE35425AD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002DE354424A0, 16 bytes long.
 Data: <h3D5&#222;           > 68 33 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002DE35442450, 16 bytes long.
 Data: <@3D5&#222;           > 40 33 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002DE3543C7D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002DE35442810, 16 bytes long.
 Data: < 3D5&#222;           > 18 33 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002DE354427C0, 16 bytes long.
 Data: <&#240;2D5&#222;           > F0 32 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002DE35442770, 16 bytes long.
 Data: <&#200;2D5&#222;           > C8 32 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002DE35442360, 16 bytes long.
 Data: <&#160;2D5&#222;           > A0 32 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002DE35440510, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002DE35442680, 16 bytes long.
 Data: <hZB5&#222;           > 68 5A 42 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002DE3543C1D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002DE35442220, 16 bytes long.
 Data: <@ZB5&#222;           > 40 5A 42 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002DE35442AE0, 16 bytes long.
 Data: < ZB5&#222;           > 18 5A 42 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002DE354421D0, 16 bytes long.
 Data: <&#240;YB5&#222;           > F0 59 42 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002DE35441FF0, 16 bytes long.
 Data: <&#200;YB5&#222;           > C8 59 42 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002DE35441E10, 16 bytes long.
 Data: <&#160;YB5&#222;           > A0 59 42 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002DE35441F50, 16 bytes long.
 Data: <xYB5&#222;           > 78 59 42 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002DE3543C650, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002DE35442A90, 16 bytes long.
 Data: <PYB5&#222;           > 50 59 42 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002DE35425950, 320 bytes long.
 Data: < *D5&#222;   P&#198;C5&#222;   > 90 2A 44 35 DE 02 00 00 50 C6 43 35 DE 02 00 00 
{268} normal block at 0x000002DE35442180, 16 bytes long.
 Data: < 2D5&#222;           > 80 32 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002DE35441C80, 16 bytes long.
 Data: <X2D5&#222;           > 58 32 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002DE3543C590, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002DE35442130, 16 bytes long.
 Data: <02D5&#222;           > 30 32 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002DE3543CE30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002DE35442900, 16 bytes long.
 Data: <x1D5&#222;           > 78 31 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002DE35442A40, 16 bytes long.
 Data: <P1D5&#222;           > 50 31 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002DE354429F0, 16 bytes long.
 Data: <(1D5&#222;           > 28 31 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002DE35442270, 16 bytes long.
 Data: < 1D5&#222;           > 00 31 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002DE35442BD0, 16 bytes long.
 Data: <&#216;0D5&#222;           > D8 30 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002DE35442950, 16 bytes long.
 Data: <&#176;0D5&#222;           > B0 30 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002DE354420E0, 16 bytes long.
 Data: <p	D5&#222;           > 70 09 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002DE35440970, 40 bytes long.
 Data: <&#224; D5&#222;    &#181;&#237;6&#222;   > E0 20 44 35 DE 02 00 00 80 B5 ED 36 DE 02 00 00 
{254} normal block at 0x000002DE35441E60, 16 bytes long.
 Data: < 0D5&#222;           > 90 30 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002DE354429A0, 16 bytes long.
 Data: <h0D5&#222;           > 68 30 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002DE3543C770, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002DE35442090, 16 bytes long.
 Data: <@0D5&#222;           > 40 30 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002DE35443040, 992 bytes long.
 Data: <  D5&#222;   p&#199;C5&#222;   > 90 20 44 35 DE 02 00 00 70 C7 43 35 DE 02 00 00 
{86} normal block at 0x000002DE3543CDD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002DE354365B0, 16 bytes long.
 Data: <&#160; D5&#222;           > A0 04 44 35 DE 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002DE354404A0, 40 bytes long.
 Data: <&#176;eC5&#222;   &#208;&#205;C5&#222;   > B0 65 43 35 DE 02 00 00 D0 CD 43 35 DE 02 00 00 
{63} normal block at 0x000002DE354363D0, 16 bytes long.
 Data: < &#234;y &#246;           > 80 EA 79 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002DE35436BA0, 16 bytes long.
 Data: <@&#233;y &#246;           > 40 E9 79 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002DE35436790, 16 bytes long.
 Data: <&#248;Wv &#246;           > F8 57 76 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002DE35436A60, 16 bytes long.
 Data: <&#216;Wv &#246;           > D8 57 76 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002DE35436BF0, 16 bytes long.
 Data: <P v &#246;           > 50 04 76 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002DE35436C40, 16 bytes long.
 Data: <0 v &#246;           > 30 04 76 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002DE354369C0, 16 bytes long.
 Data: <&#224; v &#246;           > E0 02 76 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002DE35436510, 16 bytes long.
 Data: <  v &#246;           > 10 04 76 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002DE35436290, 16 bytes long.
 Data: <p v &#246;           > 70 04 76 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002DE354361F0, 16 bytes long.
 Data: < &#192;t &#246;           > 18 C0 74 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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