Task 38688133

Name test_243-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND4623_0
Workunit 31629502
Created 28 Oct 2026, 11:52:50 UTC
Sent 28 Oct 2026, 11:52:55 UTC
Report deadline 2 Nov 2026, 11:52:55 UTC
Received 28 Oct 2026, 13:23:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646098
Run time 45 min 51 sec
CPU time 41 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,607.46 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 8.47 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:38:04 (28308): wrapper (7.9.26016): starting
06:38:04 (28308): 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
06:38:06 (28308): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:38:06 (28308): 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\19\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\19\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
07:22:27 (28308): C:/Windows/system32/cmd.exe exited; CPU time 2500.312500
07:22:27 (28308): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 62291339 bytes.
Dumping objects ->
{3835483} normal block at 0x000001F265F1E880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x000001F264226F20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835461} normal block at 0x000001F264226AC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835450} normal block at 0x000001F264226D60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x000001F264226CF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835408} normal block at 0x000001F265F67410, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835395} normal block at 0x000001F2642210D0, 8 bytes long.
 Data: <   d&#242;   > 00 00 1F 64 F2 01 00 00 
{3833957} normal block at 0x000001F2642216C0, 8 bytes long.
 Data: <&#208;&#241;&#247;e&#242;   > D0 F1 F7 65 F2 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F264216600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F264217A80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001F2642275F0, 16 bytes long.
 Data: < &#131;"d&#242;           > 88 83 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F264227F00, 16 bytes long.
 Data: <`&#131;"d&#242;           > 60 83 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F26421FDD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001F264227A00, 16 bytes long.
 Data: <8&#131;"d&#242;           > 38 83 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F264227EB0, 16 bytes long.
 Data: < &#131;"d&#242;           > 10 83 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F264227C80, 16 bytes long.
 Data: <&#232;&#130;"d&#242;           > E8 82 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F2642271E0, 16 bytes long.
 Data: <&#192;&#130;"d&#242;           > C0 82 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F264226C80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001F264227AF0, 16 bytes long.
 Data: < &#185; d&#242;           > 08 B9 20 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F264220670, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001F2642270A0, 16 bytes long.
 Data: <&#224;&#184; d&#242;           > E0 B8 20 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F264227190, 16 bytes long.
 Data: <&#184;&#184; d&#242;           > B8 B8 20 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F2642276E0, 16 bytes long.
 Data: < &#184; d&#242;           > 90 B8 20 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F2642270F0, 16 bytes long.
 Data: <h&#184; d&#242;           > 68 B8 20 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F264227500, 16 bytes long.
 Data: <@&#184; d&#242;           > 40 B8 20 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F264227E10, 16 bytes long.
 Data: < &#184; d&#242;           > 18 B8 20 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F2642200D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001F264227A50, 16 bytes long.
 Data: <&#240;&#183; d&#242;           > F0 B7 20 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F26420B7F0, 320 bytes long.
 Data: <Pz"d&#242;   &#208; "d&#242;   > 50 7A 22 64 F2 01 00 00 D0 00 22 64 F2 01 00 00 
{274} normal block at 0x000001F264227C30, 16 bytes long.
 Data: <&#160;&#130;"d&#242;           > A0 82 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F264227820, 16 bytes long.
 Data: <x&#130;"d&#242;           > 78 82 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F264220550, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001F264227690, 16 bytes long.
 Data: <P&#130;"d&#242;           > 50 82 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F26421F9B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001F264227DC0, 16 bytes long.
 Data: <  "d&#242;           > 98 81 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F264227B40, 16 bytes long.
 Data: <p "d&#242;           > 70 81 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F2642278C0, 16 bytes long.
 Data: <H "d&#242;           > 48 81 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F264227780, 16 bytes long.
 Data: <  "d&#242;           > 20 81 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F264227550, 16 bytes long.
 Data: <&#248; "d&#242;           > F8 80 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F264227910, 16 bytes long.
 Data: <&#208; "d&#242;           > D0 80 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F264227FF0, 16 bytes long.
 Data: < l"d&#242;           > 10 6C 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F264226C10, 40 bytes long.
 Data: <&#240; "d&#242;    t&#246;e&#242;   > F0 7F 22 64 F2 01 00 00 10 74 F6 65 F2 01 00 00 
{260} normal block at 0x000001F264227D20, 16 bytes long.
 Data: <&#176; "d&#242;           > B0 80 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F264227640, 16 bytes long.
 Data: <  "d&#242;           > 88 80 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F26421FB30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001F264227E60, 16 bytes long.
 Data: <` "d&#242;           > 60 80 22 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F264228060, 992 bytes long.
 Data: <`~"d&#242;   0&#251;!d&#242;   > 60 7E 22 64 F2 01 00 00 30 FB 21 64 F2 01 00 00 
{92} normal block at 0x000001F264220610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001F264220C70, 16 bytes long.
 Data: <0&#232; d&#242;           > 30 E8 20 64 F2 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F26420E830, 40 bytes long.
 Data: <p "d&#242;     "d&#242;   > 70 0C 22 64 F2 01 00 00 10 06 22 64 F2 01 00 00 
{69} normal block at 0x000001F264221490, 16 bytes long.
 Data: < &#234;&#173;`&#246;           > 80 EA AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F264220DB0, 16 bytes long.
 Data: <@&#233;&#173;`&#246;           > 40 E9 AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F2642214E0, 16 bytes long.
 Data: <&#248;W&#170;`&#246;           > F8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F264220CC0, 16 bytes long.
 Data: <&#216;W&#170;`&#246;           > D8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F2642211C0, 16 bytes long.
 Data: <P &#170;`&#246;           > 50 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F2642213F0, 16 bytes long.
 Data: <0 &#170;`&#246;           > 30 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F264221440, 16 bytes long.
 Data: <&#224; &#170;`&#246;           > E0 02 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F2642209A0, 16 bytes long.
 Data: <  &#170;`&#246;           > 10 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F264221120, 16 bytes long.
 Data: <p &#170;`&#246;           > 70 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F2642212B0, 16 bytes long.
 Data: < &#192;&#168;`&#246;           > 18 C0 A8 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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