Task 38659510

Name test_802-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND0064_0
Workunit 31603055
Created 24 Oct 2026, 13:28:23 UTC
Sent 24 Oct 2026, 15:42:55 UTC
Report deadline 29 Oct 2026, 15:42:55 UTC
Received 24 Oct 2026, 22:25:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 43 min 34 sec
CPU time 37 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.73 MB
Peak swap size 3.84 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:56:39 (13268): wrapper (7.9.26016): starting
17:56:39 (13268): 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
17:56:43 (13268): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:56:43 (13268): 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\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 'E:\BOINC\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
18:37:49 (13268): C:/Windows/system32/cmd.exe exited; CPU time 2225.000000
18:37:49 (13268): 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: 46320995 bytes.
Dumping objects ->
{3835197} normal block at 0x000001241773FFC0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x00000124192B70C0, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x00000124192B6340, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x00000124192B5DA0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x00000124192B7240, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x0000012417740340, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x0000012417739FB0, 8 bytes long.
 Data: <    $   > 00 00 11 19 24 01 00 00 
{3833953} normal block at 0x0000012417739BA0, 8 bytes long.
 Data: < A, $   > 10 41 2C 19 24 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000012417743260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000012417726140, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000012417744520, 16 bytes long.
 Data: <XSt $           > 58 53 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012417744BB0, 16 bytes long.
 Data: <0St $           > 30 53 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001241773EAA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000012417744890, 16 bytes long.
 Data: < St $           > 08 53 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012417744C00, 16 bytes long.
 Data: <&#224;Rt $           > E0 52 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012417744840, 16 bytes long.
 Data: <&#184;Rt $           > B8 52 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012417744D40, 16 bytes long.
 Data: < Rt $           > 90 52 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001241773FE00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000012417744750, 16 bytes long.
 Data: <&#216;`r $           > D8 60 72 17 24 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001241773EE60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000124177444D0, 16 bytes long.
 Data: <&#176;`r $           > B0 60 72 17 24 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012417744200, 16 bytes long.
 Data: < `r $           > 88 60 72 17 24 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012417744AC0, 16 bytes long.
 Data: <``r $           > 60 60 72 17 24 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000012417744B60, 16 bytes long.
 Data: <8`r $           > 38 60 72 17 24 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012417744F70, 16 bytes long.
 Data: < `r $           > 10 60 72 17 24 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012417744110, 16 bytes long.
 Data: <&#232;_r $           > E8 5F 72 17 24 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001241773E200, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000012417744700, 16 bytes long.
 Data: <&#192;_r $           > C0 5F 72 17 24 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012417725FC0, 320 bytes long.
 Data: < Gt $    &#226;s $   > 00 47 74 17 24 01 00 00 00 E2 73 17 24 01 00 00 
{272} normal block at 0x0000012417744390, 16 bytes long.
 Data: <pRt $           > 70 52 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000124177442A0, 16 bytes long.
 Data: <HRt $           > 48 52 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001241773EB00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000012417744A70, 16 bytes long.
 Data: < Rt $           > 20 52 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001241773EDA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000012417744430, 16 bytes long.
 Data: <hQt $           > 68 51 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012417744F20, 16 bytes long.
 Data: <@Qt $           > 40 51 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012417744160, 16 bytes long.
 Data: < Qt $           > 18 51 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000012417744B10, 16 bytes long.
 Data: <&#240;Pt $           > F0 50 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012417744CA0, 16 bytes long.
 Data: <&#200;Pt $           > C8 50 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000124177440C0, 16 bytes long.
 Data: <&#160;Pt $           > A0 50 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000124177446B0, 16 bytes long.
 Data: <  t $           > 10 01 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000012417740110, 40 bytes long.
 Data: <&#176;Ft $   @ t $   > B0 46 74 17 24 01 00 00 40 03 74 17 24 01 00 00 
{258} normal block at 0x00000124177443E0, 16 bytes long.
 Data: < Pt $           > 80 50 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000012417744480, 16 bytes long.
 Data: <XPt $           > 58 50 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001241773E9E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000012417744DE0, 16 bytes long.
 Data: <0Pt $           > 30 50 74 17 24 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000012417745030, 992 bytes long.
 Data: <&#224;Mt $   &#224;&#233;s $   > E0 4D 74 17 24 01 00 00 E0 E9 73 17 24 01 00 00 
{90} normal block at 0x000001241773E020, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001241773A0A0, 16 bytes long.
 Data: < &#253;s $           > 20 FD 73 17 24 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001241773FD20, 40 bytes long.
 Data: <&#160;&#160;s $    &#224;s $   > A0 A0 73 17 24 01 00 00 20 E0 73 17 24 01 00 00 
{67} normal block at 0x00000124177396F0, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001241773A050, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000012417739F10, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000012417739330, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000012417739830, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000012417739D30, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000012417739920, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000012417739EC0, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000124177392E0, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000012417739600, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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