Task 38661053

Name test_920-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND1622_0
Workunit 31604501
Created 24 Oct 2026, 15:08:09 UTC
Sent 24 Oct 2026, 15:15:14 UTC
Report deadline 29 Oct 2026, 15:15:14 UTC
Received 24 Oct 2026, 15:34:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 17 min 28 sec
CPU time 16 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.59 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:16:30 (29972): wrapper (7.9.26016): starting
17:16:30 (29972): 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
17:16:31 (29972): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:16:31 (29972): 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\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 'C:\ProgramData\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
17:33:17 (29972): C:/Windows/system32/cmd.exe exited; CPU time 961.328125
17:33:17 (29972): 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: 18118887 bytes.
Dumping objects ->
{3835229} normal block at 0x0000022B09315240, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000022B09315710, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000022B093156A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x0000022B093155C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000022B09315940, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x0000022B0B082100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x0000022B0B03DF30, 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) : {3835140} normal block at 0x0000022B0930DC40, 8 bytes long.
 Data: <  ,	+   > 00 00 2C 09 2B 02 00 00 
{3834544} normal block at 0x0000022B0B03DDD0, 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 0x0000022B0930E410, 8 bytes long.
 Data: < &#233;>	+   > 90 E9 3E 09 2B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000022B09310700, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022B09306F60, 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 0x0000022B09313E20, 16 bytes long.
 Data: <&#248;P1	+           > F8 50 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022B09313DD0, 16 bytes long.
 Data: <&#208;P1	+           > D0 50 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022B0930ECF0, 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 0x0000022B09313F60, 16 bytes long.
 Data: <&#168;P1	+           > A8 50 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022B09313C90, 16 bytes long.
 Data: < P1	+           > 80 50 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022B09314870, 16 bytes long.
 Data: <XP1	+           > 58 50 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022B09313D80, 16 bytes long.
 Data: <0P1	+           > 30 50 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022B093152B0, 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 0x0000022B09313CE0, 16 bytes long.
 Data: <H&#215;0	+           > 48 D7 30 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022B0930F6B0, 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 0x0000022B09314780, 16 bytes long.
 Data: < &#215;0	+           > 20 D7 30 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022B093140F0, 16 bytes long.
 Data: <&#248;&#214;0	+           > F8 D6 30 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022B09313FB0, 16 bytes long.
 Data: <&#208;&#214;0	+           > D0 D6 30 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022B093146E0, 16 bytes long.
 Data: <&#168;&#214;0	+           > A8 D6 30 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022B09314230, 16 bytes long.
 Data: < &#214;0	+           > 80 D6 30 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022B09313D30, 16 bytes long.
 Data: <X&#214;0	+           > 58 D6 30 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022B0930EF30, 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 0x0000022B093144B0, 16 bytes long.
 Data: <0&#214;0	+           > 30 D6 30 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022B0930D630, 320 bytes long.
 Data: <&#176;D1	+   0&#239;0	+   > B0 44 31 09 2B 02 00 00 30 EF 30 09 2B 02 00 00 
{275} normal block at 0x0000022B09314190, 16 bytes long.
 Data: < P1	+           > 10 50 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022B09313AB0, 16 bytes long.
 Data: <&#232;O1	+           > E8 4F 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022B0930F530, 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 0x0000022B09313C40, 16 bytes long.
 Data: <&#192;O1	+           > C0 4F 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022B0930EB70, 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 0x0000022B09314730, 16 bytes long.
 Data: < O1	+           > 08 4F 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022B093142D0, 16 bytes long.
 Data: <&#224;N1	+           > E0 4E 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022B093140A0, 16 bytes long.
 Data: <&#184;N1	+           > B8 4E 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022B093143C0, 16 bytes long.
 Data: < N1	+           > 90 4E 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022B09313A10, 16 bytes long.
 Data: <hN1	+           > 68 4E 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022B09313B00, 16 bytes long.
 Data: <@N1	+           > 40 4E 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022B09314820, 16 bytes long.
 Data: <&#160;&#211;/	+           > A0 D3 2F 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022B092FD3A0, 40 bytes long.
 Data: < H1	+    !  +   > 20 48 31 09 2B 02 00 00 00 21 08 0B 2B 02 00 00 
{261} normal block at 0x0000022B09314500, 16 bytes long.
 Data: < N1	+           > 20 4E 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022B09314910, 16 bytes long.
 Data: <&#248;M1	+           > F8 4D 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022B0930EB10, 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 0x0000022B093148C0, 16 bytes long.
 Data: <&#208;M1	+           > D0 4D 31 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022B09314DD0, 992 bytes long.
 Data: <&#192;H1	+    &#235;0	+   > C0 48 31 09 2B 02 00 00 10 EB 30 09 2B 02 00 00 
{93} normal block at 0x0000022B0930F1D0, 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 0x0000022B0930E6E0, 16 bytes long.
 Data: <&#192; /	+           > C0 8D 2F 09 2B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000022B092F8DC0, 40 bytes long.
 Data: <&#224;&#230;0	+   &#208;&#241;0	+   > E0 E6 30 09 2B 02 00 00 D0 F1 30 09 2B 02 00 00 
{70} normal block at 0x0000022B0930E460, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022B0930D970, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022B0930E0A0, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022B0930E820, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022B0930E370, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022B0930E3C0, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022B0930E320, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022B0930DBF0, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022B0930DD30, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022B0930E7D0, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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