Task 38670405

Name test_272-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND0811_0
Workunit 31612657
Created 25 Oct 2026, 17:25:14 UTC
Sent 25 Oct 2026, 17:25:22 UTC
Report deadline 30 Oct 2026, 17:25:22 UTC
Received 26 Oct 2026, 8:56:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653922
Run time 1 hours 14 min 45 sec
CPU time 1 hours 8 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 662.76 MB
Peak swap size 2.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:42:47 (6628): wrapper (7.9.26016): starting
08:42:47 (6628): 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
08:42:51 (6628): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:42:51 (6628): 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 'D:\boinc\data\slots\5\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 'D:\boinc\data\slots\5\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
09:55:40 (6628): C:/Windows/system32/cmd.exe exited; CPU time 4118.062500
09:55:40 (6628): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 43851291 bytes.
Dumping objects ->
{3835414} normal block at 0x000002A8E65CE4C0, 48 bytes long.
 Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
{3835403} normal block at 0x000002A8E81809B0, 32 bytes long.
 Data: <HOME=D:\boinc\da> 48 4F 4D 45 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
{3835392} normal block at 0x000002A8E8181670, 32 bytes long.
 Data: <TMP=D:\boinc\dat> 54 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 74 
{3835381} normal block at 0x000002A8E8180A10, 32 bytes long.
 Data: <TEMP=D:\boinc\da> 54 45 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
{3835370} normal block at 0x000002A8E8181850, 32 bytes long.
 Data: <TMPDIR=D:\boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 62 6F 69 6E 63 5C 
{3835339} normal block at 0x000002A8E65CE450, 48 bytes long.
 Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
..\api\boinc_api.cpp(309) : {3835326} normal block at 0x000002A8E65C59E0, 8 bytes long.
 Data: <  T&#230;&#168;   > 00 00 54 E6 A8 02 00 00 
{3833945} normal block at 0x000002A8E65C58F0, 8 bytes long.
 Data: <0&#228;j&#230;&#168;   > 30 E4 6A E6 A8 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002A8E65CD0A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A8E65C8AD0, 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 0x000002A8E65CF340, 16 bytes long.
 Data: < &#253;\&#230;&#168;           > 18 FD 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A8E65CEA30, 16 bytes long.
 Data: <&#240;&#252;\&#230;&#168;           > F0 FC 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A8E65CA730, 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 0x000002A8E65CEC60, 16 bytes long.
 Data: <&#200;&#252;\&#230;&#168;           > C8 FC 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A8E65CF980, 16 bytes long.
 Data: <&#160;&#252;\&#230;&#168;           > A0 FC 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A8E65CF930, 16 bytes long.
 Data: <x&#252;\&#230;&#168;           > 78 FC 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A8E65CF070, 16 bytes long.
 Data: <P&#252;\&#230;&#168;           > 50 FC 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A8E65CE0D0, 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 0x000002A8E65CF660, 16 bytes long.
 Data: <&#168;&#145;[&#230;&#168;           > A8 91 5B E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A8E65CA4F0, 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 0x000002A8E65CF570, 16 bytes long.
 Data: < &#145;[&#230;&#168;           > 80 91 5B E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A8E65CF8E0, 16 bytes long.
 Data: <X&#145;[&#230;&#168;           > 58 91 5B E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A8E65CF250, 16 bytes long.
 Data: <0&#145;[&#230;&#168;           > 30 91 5B E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A8E65CEDA0, 16 bytes long.
 Data: < &#145;[&#230;&#168;           > 08 91 5B E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A8E65CEA80, 16 bytes long.
 Data: <&#224; [&#230;&#168;           > E0 90 5B E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A8E65CF020, 16 bytes long.
 Data: <&#184; [&#230;&#168;           > B8 90 5B E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A8E65CA2B0, 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 0x000002A8E65CEDF0, 16 bytes long.
 Data: <  [&#230;&#168;           > 90 90 5B E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A8E65B9090, 320 bytes long.
 Data: <&#240;&#237;\&#230;&#168;   &#176;&#162;\&#230;&#168;   > F0 ED 5C E6 A8 02 00 00 B0 A2 5C E6 A8 02 00 00 
{268} normal block at 0x000002A8E65CF890, 16 bytes long.
 Data: <0&#252;\&#230;&#168;           > 30 FC 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A8E65CEFD0, 16 bytes long.
 Data: < &#252;\&#230;&#168;           > 08 FC 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A8E65CA430, 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 0x000002A8E65CF520, 16 bytes long.
 Data: <&#224;&#251;\&#230;&#168;           > E0 FB 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A8E65C9E30, 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 0x000002A8E65CF610, 16 bytes long.
 Data: <(&#251;\&#230;&#168;           > 28 FB 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A8E65CED00, 16 bytes long.
 Data: < &#251;\&#230;&#168;           > 00 FB 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A8E65CEF80, 16 bytes long.
 Data: <&#216;&#250;\&#230;&#168;           > D8 FA 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A8E65CF840, 16 bytes long.
 Data: <&#176;&#250;\&#230;&#168;           > B0 FA 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A8E65CF5C0, 16 bytes long.
 Data: < &#250;\&#230;&#168;           > 88 FA 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A8E65CF750, 16 bytes long.
 Data: <`&#250;\&#230;&#168;           > 60 FA 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A8E65CF7A0, 16 bytes long.
 Data: < &#230;\&#230;&#168;           > 80 E6 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002A8E65CE680, 40 bytes long.
 Data: <&#160;&#247;\&#230;&#168;   P&#228;\&#230;&#168;   > A0 F7 5C E6 A8 02 00 00 50 E4 5C E6 A8 02 00 00 
{254} normal block at 0x000002A8E65CF4D0, 16 bytes long.
 Data: <@&#250;\&#230;&#168;           > 40 FA 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002A8E65CF160, 16 bytes long.
 Data: < &#250;\&#230;&#168;           > 18 FA 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002A8E65CA3D0, 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 0x000002A8E65CEAD0, 16 bytes long.
 Data: <&#240;&#249;\&#230;&#168;           > F0 F9 5C E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002A8E65CF9F0, 992 bytes long.
 Data: <&#208;&#234;\&#230;&#168;   &#208;&#163;\&#230;&#168;   > D0 EA 5C E6 A8 02 00 00 D0 A3 5C E6 A8 02 00 00 
{86} normal block at 0x000002A8E65C9F50, 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 0x000002A8E65C58A0, 16 bytes long.
 Data: <@M[&#230;&#168;           > 40 4D 5B E6 A8 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002A8E65B4D40, 40 bytes long.
 Data: <&#160;X\&#230;&#168;   P&#159;\&#230;&#168;   > A0 58 5C E6 A8 02 00 00 50 9F 5C E6 A8 02 00 00 
{63} normal block at 0x000002A8E65C5850, 16 bytes long.
 Data: < &#234;6,&#246;           > 80 EA 36 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A8E65C5800, 16 bytes long.
 Data: <@&#233;6,&#246;           > 40 E9 36 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A8E65C62A0, 16 bytes long.
 Data: <&#248;W3,&#246;           > F8 57 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A8E65C5D00, 16 bytes long.
 Data: <&#216;W3,&#246;           > D8 57 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A8E65C6520, 16 bytes long.
 Data: <P 3,&#246;           > 50 04 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002A8E65C5C10, 16 bytes long.
 Data: <0 3,&#246;           > 30 04 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002A8E65C5BC0, 16 bytes long.
 Data: <&#224; 3,&#246;           > E0 02 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002A8E65C61B0, 16 bytes long.
 Data: <  3,&#246;           > 10 04 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002A8E65C5D50, 16 bytes long.
 Data: <p 3,&#246;           > 70 04 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002A8E65C5E40, 16 bytes long.
 Data: < &#192;1,&#246;           > 18 C0 31 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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