Task 38687746

Name test_6-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND2363_0
Workunit 31629127
Created 28 Oct 2026, 9:32:28 UTC
Sent 28 Oct 2026, 9:32:30 UTC
Report deadline 2 Nov 2026, 9:32:30 UTC
Received 28 Oct 2026, 11:11:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653191
Run time 24 min 45 sec
CPU time 22 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.21 MB
Peak swap size 6.93 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:47:21 (13808): wrapper (7.9.26016): starting
11:47:21 (13808): 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
11:47:22 (13808): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:47:22 (13808): 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\3\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\3\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
12:10:59 (13808): C:/Windows/system32/cmd.exe exited; CPU time 1349.718750
12:10:59 (13808): 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: 24301407 bytes.
Dumping objects ->
{3835601} normal block at 0x0000015DF7C705A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x0000015DF7C701B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835579} normal block at 0x0000015DF7C704C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835568} normal block at 0x0000015DF7C70140, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835557} normal block at 0x0000015DF6034C00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835526} normal block at 0x0000015DF7CE8180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x0000015DF7CFE5A0, 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) : {3835512} normal block at 0x0000015DF602F200, 8 bytes long.
 Data: <  F&#246;]   > 00 00 46 F6 5D 01 00 00 
{3834713} normal block at 0x0000015DF7CFF0A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000015DF602EA80, 8 bytes long.
 Data: < Y&#215;&#247;]   > 90 59 D7 F7 5D 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000015DF6030780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000015DF60264A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000015DF60357D0, 16 bytes long.
 Data: <hg &#246;]           > 68 67 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015DF6035690, 16 bytes long.
 Data: <@g &#246;]           > 40 67 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015DF602FF50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000015DF60356E0, 16 bytes long.
 Data: < g &#246;]           > 18 67 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015DF60355A0, 16 bytes long.
 Data: <&#240;f &#246;]           > F0 66 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015DF60358C0, 16 bytes long.
 Data: <&#200;f &#246;]           > C8 66 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015DF60360E0, 16 bytes long.
 Data: <&#160;f &#246;]           > A0 66 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015DF60349D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000015DF6035AA0, 16 bytes long.
 Data: < &#230; &#246;]           > 18 E6 02 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015DF6030670, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000015DF60359B0, 16 bytes long.
 Data: <&#240;&#229; &#246;]           > F0 E5 02 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015DF6035EB0, 16 bytes long.
 Data: <&#200;&#229; &#246;]           > C8 E5 02 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015DF6035FF0, 16 bytes long.
 Data: <&#160;&#229; &#246;]           > A0 E5 02 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015DF6035460, 16 bytes long.
 Data: <x&#229; &#246;]           > 78 E5 02 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015DF6035870, 16 bytes long.
 Data: <P&#229; &#246;]           > 50 E5 02 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015DF6035B40, 16 bytes long.
 Data: <(&#229; &#246;]           > 28 E5 02 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015DF60302B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000015DF6035780, 16 bytes long.
 Data: < &#229; &#246;]           > 00 E5 02 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015DF602E500, 320 bytes long.
 Data: < W &#246;]   &#176;  &#246;]   > 80 57 03 F6 5D 01 00 00 B0 02 03 F6 5D 01 00 00 
{276} normal block at 0x0000015DF6035FA0, 16 bytes long.
 Data: < f &#246;]           > 80 66 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015DF6035A50, 16 bytes long.
 Data: <Xf &#246;]           > 58 66 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015DF6030250, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000015DF60355F0, 16 bytes long.
 Data: <0f &#246;]           > 30 66 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015DF602FB90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000015DF60353C0, 16 bytes long.
 Data: <xe &#246;]           > 78 65 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015DF6035370, 16 bytes long.
 Data: <Pe &#246;]           > 50 65 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015DF6036220, 16 bytes long.
 Data: <(e &#246;]           > 28 65 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015DF6035910, 16 bytes long.
 Data: < e &#246;]           > 00 65 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015DF6035B90, 16 bytes long.
 Data: <&#216;d &#246;]           > D8 64 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015DF6035F00, 16 bytes long.
 Data: <&#176;d &#246;]           > B0 64 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015DF6036090, 16 bytes long.
 Data: < H &#246;]           > 80 48 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015DF6034880, 40 bytes long.
 Data: < ` &#246;]     &#206;&#247;]   > 90 60 03 F6 5D 01 00 00 80 81 CE F7 5D 01 00 00 
{262} normal block at 0x0000015DF6035E10, 16 bytes long.
 Data: < d &#246;]           > 90 64 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015DF6035A00, 16 bytes long.
 Data: <hd &#246;]           > 68 64 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015DF6030190, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000015DF6035640, 16 bytes long.
 Data: <@d &#246;]           > 40 64 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015DF6036440, 992 bytes long.
 Data: <@V &#246;]      &#246;]   > 40 56 03 F6 5D 01 00 00 90 01 03 F6 5D 01 00 00 
{94} normal block at 0x0000015DF602FE90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000015DF602EF30, 16 bytes long.
 Data: <PM &#246;]           > 50 4D 03 F6 5D 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000015DF6034D50, 40 bytes long.
 Data: <0&#239; &#246;]    &#254; &#246;]   > 30 EF 02 F6 5D 01 00 00 90 FE 02 F6 5D 01 00 00 
{71} normal block at 0x0000015DF602E8F0, 16 bytes long.
 Data: < &#234;8 &#246;           > 80 EA 38 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000015DF602F660, 16 bytes long.
 Data: <@&#233;8 &#246;           > 40 E9 38 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000015DF602EC60, 16 bytes long.
 Data: <&#248;W5 &#246;           > F8 57 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015DF602ED50, 16 bytes long.
 Data: <&#216;W5 &#246;           > D8 57 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015DF602F610, 16 bytes long.
 Data: <P 5 &#246;           > 50 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015DF602EE40, 16 bytes long.
 Data: <0 5 &#246;           > 30 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015DF602EC10, 16 bytes long.
 Data: <&#224; 5 &#246;           > E0 02 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015DF602F2F0, 16 bytes long.
 Data: <  5 &#246;           > 10 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015DF602F6B0, 16 bytes long.
 Data: <p 5 &#246;           > 70 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015DF602F1B0, 16 bytes long.
 Data: < &#192;3 &#246;           > 18 C0 33 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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