Task 38675762

Name test_412-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND2255_0
Workunit 31617715
Created 26 Oct 2026, 9:13:21 UTC
Sent 26 Oct 2026, 9:13:26 UTC
Report deadline 31 Oct 2026, 9:13:26 UTC
Received 26 Oct 2026, 12:03:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 36 min 5 sec
CPU time 32 min 39 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 703.19 MB
Peak swap size 3.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:28:58 (11344): wrapper (7.9.26016): starting
10:28:58 (11344): 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
10:29:00 (11344): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:29:00 (11344): 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
11:02:48 (11344): C:/Windows/system32/cmd.exe exited; CPU time 1959.078125
11:02:48 (11344): 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: 37933641 bytes.
Dumping objects ->
{3835197} normal block at 0x0000029BB173FB10, 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 0x0000029BB33A4930, 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 0x0000029BB33A4570, 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 0x0000029BB33A4030, 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 0x0000029BB33A4270, 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 0x0000029BB173FA30, 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 0x0000029BB1739280, 8 bytes long.
 Data: <   &#179;&#155;   > 00 00 13 B3 9B 02 00 00 
{3833953} normal block at 0x0000029BB1739050, 8 bytes long.
 Data: <@&#235;&&#179;&#155;   > 40 EB 26 B3 9B 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000029BB17429D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029BB172D820, 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 0x0000029BB1744460, 16 bytes long.
 Data: <xLt&#177;&#155;           > 78 4C 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029BB1744370, 16 bytes long.
 Data: <PLt&#177;&#155;           > 50 4C 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029BB173DD70, 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 0x0000029BB1744320, 16 bytes long.
 Data: <(Lt&#177;&#155;           > 28 4C 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029BB17438D0, 16 bytes long.
 Data: < Lt&#177;&#155;           > 00 4C 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029BB1744230, 16 bytes long.
 Data: <&#216;Kt&#177;&#155;           > D8 4B 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029BB1744730, 16 bytes long.
 Data: <&#176;Kt&#177;&#155;           > B0 4B 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029BB173FB80, 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 0x0000029BB1744140, 16 bytes long.
 Data: <&#216;`r&#177;&#155;           > D8 60 72 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029BB173E010, 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 0x0000029BB17440F0, 16 bytes long.
 Data: <&#176;`r&#177;&#155;           > B0 60 72 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029BB1744640, 16 bytes long.
 Data: < `r&#177;&#155;           > 88 60 72 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029BB1743D80, 16 bytes long.
 Data: <``r&#177;&#155;           > 60 60 72 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029BB17445F0, 16 bytes long.
 Data: <8`r&#177;&#155;           > 38 60 72 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029BB1744550, 16 bytes long.
 Data: < `r&#177;&#155;           > 10 60 72 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029BB17441E0, 16 bytes long.
 Data: <&#232;_r&#177;&#155;           > E8 5F 72 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029BB173D890, 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 0x0000029BB1743BA0, 16 bytes long.
 Data: <&#192;_r&#177;&#155;           > C0 5F 72 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029BB1725FC0, 320 bytes long.
 Data: <&#160;;t&#177;&#155;    &#216;s&#177;&#155;   > A0 3B 74 B1 9B 02 00 00 90 D8 73 B1 9B 02 00 00 
{272} normal block at 0x0000029BB17440A0, 16 bytes long.
 Data: < Kt&#177;&#155;           > 90 4B 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029BB17444B0, 16 bytes long.
 Data: <hKt&#177;&#155;           > 68 4B 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029BB173E250, 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 0x0000029BB1744410, 16 bytes long.
 Data: <@Kt&#177;&#155;           > 40 4B 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029BB173DFB0, 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 0x0000029BB1743970, 16 bytes long.
 Data: < Jt&#177;&#155;           > 88 4A 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029BB17443C0, 16 bytes long.
 Data: <`Jt&#177;&#155;           > 60 4A 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029BB1744690, 16 bytes long.
 Data: <8Jt&#177;&#155;           > 38 4A 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029BB17445A0, 16 bytes long.
 Data: < Jt&#177;&#155;           > 10 4A 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029BB1744050, 16 bytes long.
 Data: <&#232;It&#177;&#155;           > E8 49 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029BB17442D0, 16 bytes long.
 Data: <&#192;It&#177;&#155;           > C0 49 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029BB1743FB0, 16 bytes long.
 Data: <`&#245;s&#177;&#155;           > 60 F5 73 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029BB173F560, 40 bytes long.
 Data: <&#176;?t&#177;&#155;   0&#250;s&#177;&#155;   > B0 3F 74 B1 9B 02 00 00 30 FA 73 B1 9B 02 00 00 
{258} normal block at 0x0000029BB17446E0, 16 bytes long.
 Data: <&#160;It&#177;&#155;           > A0 49 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000029BB1743920, 16 bytes long.
 Data: <xIt&#177;&#155;           > 78 49 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000029BB173D830, 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 0x0000029BB1743F10, 16 bytes long.
 Data: <PIt&#177;&#155;           > 50 49 74 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000029BB1744950, 992 bytes long.
 Data: < ?t&#177;&#155;   0&#216;s&#177;&#155;   > 10 3F 74 B1 9B 02 00 00 30 D8 73 B1 9B 02 00 00 
{90} normal block at 0x0000029BB173D7D0, 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 0x0000029BB1739550, 16 bytes long.
 Data: < &#247;s&#177;&#155;           > 90 F7 73 B1 9B 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000029BB173F790, 40 bytes long.
 Data: <P&#149;s&#177;&#155;   &#208;&#215;s&#177;&#155;   > 50 95 73 B1 9B 02 00 00 D0 D7 73 B1 9B 02 00 00 
{67} normal block at 0x0000029BB1739140, 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 0x0000029BB1738AB0, 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 0x0000029BB17386A0, 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 0x0000029BB17388D0, 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 0x0000029BB1738E20, 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 0x0000029BB1738BA0, 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 0x0000029BB1738B50, 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 0x0000029BB1739000, 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 0x0000029BB1738F60, 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 0x0000029BB1738B00, 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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