Task 38666596

Name test_138-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3367_0
Workunit 31609454
Created 25 Oct 2026, 4:00:45 UTC
Sent 25 Oct 2026, 6:14:11 UTC
Report deadline 30 Oct 2026, 6:14:11 UTC
Received 25 Oct 2026, 6:42:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648332
Run time 23 min 42 sec
CPU time 22 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.17 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:19:02 (26888): wrapper (7.9.26016): starting
02:19:02 (26888): 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
02:19:03 (26888): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:19:03 (26888): 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
02:42:01 (26888): C:/Windows/system32/cmd.exe exited; CPU time 1348.296875
02:42:01 (26888): 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: 26153049 bytes.
Dumping objects ->
{3835219} normal block at 0x0000022F660D4D90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000022F660D4D20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000022F660D4CB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x0000022F660D4AF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000022F660D4C40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000022F67EFB280, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000022F67F0E1A0, 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) : {3835130} normal block at 0x0000022F660CE690, 8 bytes long.
 Data: <   f/   > 00 00 0A 66 2F 02 00 00 
{3834528} normal block at 0x0000022F67F0E670, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000022F660CEEB0, 8 bytes long.
 Data: <&#192;&#174; f/   > C0 AE 0F 66 2F 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000022F660D07F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022F660C5E00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000022F660D5C00, 16 bytes long.
 Data: < e f/           > 88 65 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022F660D5B10, 16 bytes long.
 Data: <`e f/           > 60 65 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022F660CFF40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000022F660D5AC0, 16 bytes long.
 Data: <8e f/           > 38 65 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022F660D5ED0, 16 bytes long.
 Data: < e f/           > 10 65 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022F660D5610, 16 bytes long.
 Data: <&#232;d f/           > E8 64 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022F660D60B0, 16 bytes long.
 Data: <&#192;d f/           > C0 64 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022F660D4930, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000022F660D5FC0, 16 bytes long.
 Data: <&#168;  f/           > A8 8D 0C 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022F660CFFA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000022F660D5E80, 16 bytes long.
 Data: <   f/           > 80 8D 0C 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022F660D6150, 16 bytes long.
 Data: <X  f/           > 58 8D 0C 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022F660D5BB0, 16 bytes long.
 Data: <0  f/           > 30 8D 0C 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022F660D5E30, 16 bytes long.
 Data: <   f/           > 08 8D 0C 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022F660D5660, 16 bytes long.
 Data: <&#224;&#140; f/           > E0 8C 0C 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022F660D6010, 16 bytes long.
 Data: <&#184;&#140; f/           > B8 8C 0C 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022F660CF460, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000022F660D52F0, 16 bytes long.
 Data: < &#140; f/           > 90 8C 0C 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022F660C8C90, 320 bytes long.
 Data: <&#240;R f/   `&#244; f/   > F0 52 0D 66 2F 02 00 00 60 F4 0C 66 2F 02 00 00 
{269} normal block at 0x0000022F660D5A70, 16 bytes long.
 Data: <&#160;d f/           > A0 64 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022F660D59D0, 16 bytes long.
 Data: <xd f/           > 78 64 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022F660CF340, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000022F660D5890, 16 bytes long.
 Data: <Pd f/           > 50 64 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022F660CF940, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000022F660D5430, 16 bytes long.
 Data: < c f/           > 98 63 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022F660D5CA0, 16 bytes long.
 Data: <pc f/           > 70 63 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022F660D6060, 16 bytes long.
 Data: <Hc f/           > 48 63 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022F660D5570, 16 bytes long.
 Data: < c f/           > 20 63 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022F660D5930, 16 bytes long.
 Data: <&#248;b f/           > F8 62 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022F660D5D40, 16 bytes long.
 Data: <&#208;b f/           > D0 62 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022F660D5980, 16 bytes long.
 Data: <&#224;G f/           > E0 47 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022F660D47E0, 40 bytes long.
 Data: < Y f/    &#178;&#239;g/   > 80 59 0D 66 2F 02 00 00 80 B2 EF 67 2F 02 00 00 
{255} normal block at 0x0000022F660D5D90, 16 bytes long.
 Data: <&#176;b f/           > B0 62 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022F660D5390, 16 bytes long.
 Data: < b f/           > 88 62 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022F660CFCA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000022F660D5B60, 16 bytes long.
 Data: <`b f/           > 60 62 0D 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000022F660D6260, 992 bytes long.
 Data: <`[ f/   &#160;&#252; f/   > 60 5B 0D 66 2F 02 00 00 A0 FC 0C 66 2F 02 00 00 
{87} normal block at 0x0000022F660CFD60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000022F660CE500, 16 bytes long.
 Data: <&#160;&#210; f/           > A0 D2 0B 66 2F 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000022F660BD2A0, 40 bytes long.
 Data: < &#229; f/   `&#253; f/   > 00 E5 0C 66 2F 02 00 00 60 FD 0C 66 2F 02 00 00 
{64} normal block at 0x0000022F660CF220, 16 bytes long.
 Data: < &#234;&#181;1&#247;           > 80 EA B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022F660CE370, 16 bytes long.
 Data: <@&#233;&#181;1&#247;           > 40 E9 B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022F660CEC80, 16 bytes long.
 Data: <&#248;W&#178;1&#247;           > F8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022F660CE5A0, 16 bytes long.
 Data: <&#216;W&#178;1&#247;           > D8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022F660CED20, 16 bytes long.
 Data: <P &#178;1&#247;           > 50 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022F660CECD0, 16 bytes long.
 Data: <0 &#178;1&#247;           > 30 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022F660CE2D0, 16 bytes long.
 Data: <&#224; &#178;1&#247;           > E0 02 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022F660CE780, 16 bytes long.
 Data: <  &#178;1&#247;           > 10 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022F660CEDC0, 16 bytes long.
 Data: <p &#178;1&#247;           > 70 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022F660CE640, 16 bytes long.
 Data: < &#192;&#176;1&#247;           > 18 C0 B0 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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