Task 38689208

Name test_976-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND2341_0
Workunit 31630478
Created 28 Oct 2026, 19:12:54 UTC
Sent 28 Oct 2026, 19:12:59 UTC
Report deadline 2 Nov 2026, 19:12:59 UTC
Received 28 Oct 2026, 19:45:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 31 min 22 sec
CPU time 27 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.09 MB
Peak swap size 8.50 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:14:45 (30788): wrapper (7.9.26016): starting
15:14:45 (30788): 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
15:14:46 (30788): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:14:46 (30788): 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\21\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\21\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
15:44:35 (30788): C:/Windows/system32/cmd.exe exited; CPU time 1659.000000
15:44:35 (30788): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 35767541 bytes.
Dumping objects ->
{3835236} normal block at 0x0000020B99624C10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000020B99624BA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000020B99624B30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000020B99624AC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000020B99624A50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x0000020B9B44B580, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000020B9B45E520, 103 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) : {3835147} normal block at 0x0000020B9961ECF0, 8 bytes long.
 Data: <  &#177;     > 00 00 B1 99 0B 02 00 00 
{3834543} normal block at 0x0000020B9B45E680, 103 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 0x0000020B9961EFC0, 8 bytes long.
 Data: <`&#130;C&#155;    > 60 82 43 9B 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020B996212B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020B99616C10, 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 0x0000020B99625980, 16 bytes long.
 Data: <Hib             > 48 69 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020B996264C0, 16 bytes long.
 Data: < ib             > 20 69 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020B996202A0, 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 0x0000020B996258E0, 16 bytes long.
 Data: <&#248;hb             > F8 68 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020B99625CF0, 16 bytes long.
 Data: <&#208;hb             > D0 68 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020B99626060, 16 bytes long.
 Data: <&#168;hb             > A8 68 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B99626560, 16 bytes long.
 Data: < hb             > 80 68 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020B99624DD0, 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 0x0000020B99625DE0, 16 bytes long.
 Data: <X&#232;a             > 58 E8 61 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020B9961FBE0, 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 0x0000020B99626010, 16 bytes long.
 Data: <0&#232;a             > 30 E8 61 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020B996265B0, 16 bytes long.
 Data: < &#232;a             > 08 E8 61 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B99626380, 16 bytes long.
 Data: <&#224;&#231;a             > E0 E7 61 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B99625F70, 16 bytes long.
 Data: <&#184;&#231;a             > B8 E7 61 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020B99625CA0, 16 bytes long.
 Data: < &#231;a             > 90 E7 61 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B99625D40, 16 bytes long.
 Data: <h&#231;a             > 68 E7 61 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B996205A0, 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 0x0000020B99625FC0, 16 bytes long.
 Data: <@&#231;a             > 40 E7 61 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020B9961E740, 320 bytes long.
 Data: <&#192;_b     &#160; b     > C0 5F 62 99 0B 02 00 00 A0 05 62 99 0B 02 00 00 
{275} normal block at 0x0000020B99625840, 16 bytes long.
 Data: <`hb             > 60 68 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B99625B10, 16 bytes long.
 Data: <8hb             > 38 68 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020B99620000, 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 0x0000020B996256B0, 16 bytes long.
 Data: < hb             > 10 68 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020B9961FB80, 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 0x0000020B99625A70, 16 bytes long.
 Data: <Xgb             > 58 67 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B99626240, 16 bytes long.
 Data: <0gb             > 30 67 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020B99625C00, 16 bytes long.
 Data: < gb             > 08 67 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B996257F0, 16 bytes long.
 Data: <&#224;fb             > E0 66 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B99626330, 16 bytes long.
 Data: <&#184;fb             > B8 66 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020B99625F20, 16 bytes long.
 Data: < fb             > 90 66 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020B996260B0, 16 bytes long.
 Data: < Lb             > 80 4C 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020B99624C80, 40 bytes long.
 Data: <&#176;`b      &#181;D&#155;    > B0 60 62 99 0B 02 00 00 80 B5 44 9B 0B 02 00 00 
{261} normal block at 0x0000020B99625930, 16 bytes long.
 Data: <pfb             > 70 66 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020B99626510, 16 bytes long.
 Data: <Hfb             > 48 66 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020B996204E0, 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 0x0000020B99626150, 16 bytes long.
 Data: < fb             > 20 66 62 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020B99626620, 992 bytes long.
 Data: <Pab     &#224; b     > 50 61 62 99 0B 02 00 00 E0 04 62 99 0B 02 00 00 
{93} normal block at 0x0000020B99620A20, 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 0x0000020B9961F380, 16 bytes long.
 Data: <&#240;&#221;`             > F0 DD 60 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020B9960DDF0, 40 bytes long.
 Data: < &#243;a       b     > 80 F3 61 99 0B 02 00 00 20 0A 62 99 0B 02 00 00 
{70} normal block at 0x0000020B9961F600, 16 bytes long.
 Data: < &#234;&#132; &#247;           > 80 EA 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020B9961F510, 16 bytes long.
 Data: <@&#233;&#132; &#247;           > 40 E9 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020B9961F740, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020B9961F9C0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020B9961F790, 16 bytes long.
 Data: <P   &#247;           > 50 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B9961F6A0, 16 bytes long.
 Data: <0   &#247;           > 30 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B9961F150, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B9961F5B0, 16 bytes long.
 Data: <    &#247;           > 10 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B9961F290, 16 bytes long.
 Data: <p   &#247;           > 70 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020B9961EC50, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 7F 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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