Task 38683573

Name test_282-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND5585_0
Workunit 31625127
Created 27 Oct 2026, 12:24:04 UTC
Sent 27 Oct 2026, 12:24:10 UTC
Report deadline 1 Nov 2026, 12:24:10 UTC
Received 27 Oct 2026, 13:24:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 575233
Run time 29 min 40 sec
CPU time 27 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,247.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.65 MB
Peak swap size 9.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
13:56:27 (67892): wrapper (7.9.26016): starting
13:56:27 (67892): 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
13:56:30 (67892): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:56:30 (67892): 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 'D:\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 'D:\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
14:24:34 (67892): C:/Windows/system32/cmd.exe exited; CPU time 1661.218750
14:24:34 (67892): 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: 37575229 bytes.
Dumping objects ->
{3835278} normal block at 0x0000027C12249420, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000027C12248EE0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x0000027C104A5480, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835245} normal block at 0x0000027C104A5410, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000027C104A5100, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835203} normal block at 0x0000027C122549B0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835190} normal block at 0x0000027C1049B0A0, 8 bytes long.
 Data: <  C |   > 00 00 43 10 7C 02 00 00 
{3833975} normal block at 0x0000027C1049B460, 8 bytes long.
 Data: < &#235;  |   > 10 EB 10 12 7C 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000027C104A1D90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000027C10496670, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x0000027C104A6400, 16 bytes long.
 Data: < oJ |           > 18 6F 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000027C104A6A90, 16 bytes long.
 Data: <&#240;nJ |           > F0 6E 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000027C1049EC60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x0000027C104A6770, 16 bytes long.
 Data: <&#200;nJ |           > C8 6E 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000027C104A6590, 16 bytes long.
 Data: <&#160;nJ |           > A0 6E 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027C104A5FF0, 16 bytes long.
 Data: <xnJ |           > 78 6E 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027C104A69F0, 16 bytes long.
 Data: <PnJ |           > 50 6E 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027C104A52C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x0000027C104A69A0, 16 bytes long.
 Data: <8&#151;I |           > 38 97 49 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027C1049F500, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x0000027C104A63B0, 16 bytes long.
 Data: < &#151;I |           > 10 97 49 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027C104A6A40, 16 bytes long.
 Data: <&#232;&#150;I |           > E8 96 49 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027C104A5E60, 16 bytes long.
 Data: <&#192;&#150;I |           > C0 96 49 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027C104A6360, 16 bytes long.
 Data: < &#150;I |           > 98 96 49 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027C104A64F0, 16 bytes long.
 Data: <p&#150;I |           > 70 96 49 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027C104A6090, 16 bytes long.
 Data: <H&#150;I |           > 48 96 49 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027C1049F020, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x0000027C104A6AE0, 16 bytes long.
 Data: < &#150;I |           > 20 96 49 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027C10499620, 320 bytes long.
 Data: <&#224;jJ |    &#240;I |   > E0 6A 4A 10 7C 02 00 00 20 F0 49 10 7C 02 00 00 
{283} normal block at 0x0000027C104A5C30, 16 bytes long.
 Data: <0nJ |           > 30 6E 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027C104A5FA0, 16 bytes long.
 Data: < nJ |           > 08 6E 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027C1049F080, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x0000027C104A6860, 16 bytes long.
 Data: <&#224;mJ |           > E0 6D 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027C1049EA80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x0000027C104A6950, 16 bytes long.
 Data: <(mJ |           > 28 6D 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027C104A6310, 16 bytes long.
 Data: < mJ |           > 00 6D 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027C104A5F50, 16 bytes long.
 Data: <&#216;lJ |           > D8 6C 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027C104A6450, 16 bytes long.
 Data: <&#176;lJ |           > B0 6C 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027C104A6040, 16 bytes long.
 Data: < lJ |           > 88 6C 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027C104A62C0, 16 bytes long.
 Data: <`lJ |           > 60 6C 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027C104A6810, 16 bytes long.
 Data: <PRJ |           > 50 52 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027C104A5250, 40 bytes long.
 Data: < hJ |   &#176;I% |   > 10 68 4A 10 7C 02 00 00 B0 49 25 12 7C 02 00 00 
{269} normal block at 0x0000027C104A5CD0, 16 bytes long.
 Data: <@lJ |           > 40 6C 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027C104A6900, 16 bytes long.
 Data: < lJ |           > 18 6C 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027C1049EAE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x0000027C104A6270, 16 bytes long.
 Data: <&#240;kJ |           > F0 6B 4A 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027C104A6BF0, 992 bytes long.
 Data: <pbJ |   &#224;&#234;I |   > 70 62 4A 10 7C 02 00 00 E0 EA 49 10 7C 02 00 00 
{101} normal block at 0x0000027C1049F440, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x0000027C1049AD30, 16 bytes long.
 Data: <p&#248;H |           > 70 F8 48 10 7C 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000027C1048F870, 40 bytes long.
 Data: <0&#173;I |   @&#244;I |   > 30 AD 49 10 7C 02 00 00 40 F4 49 10 7C 02 00 00 
{78} normal block at 0x0000027C1049B780, 16 bytes long.
 Data: < &#234;&#233;Z&#247;           > 80 EA E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000027C1049B5F0, 16 bytes long.
 Data: <@&#233;&#233;Z&#247;           > 40 E9 E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000027C1049B050, 16 bytes long.
 Data: <&#248;W&#230;Z&#247;           > F8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000027C1049B5A0, 16 bytes long.
 Data: <&#216;W&#230;Z&#247;           > D8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000027C1049B550, 16 bytes long.
 Data: <P &#230;Z&#247;           > 50 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000027C1049AF60, 16 bytes long.
 Data: <0 &#230;Z&#247;           > 30 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000027C1049AE20, 16 bytes long.
 Data: <&#224; &#230;Z&#247;           > E0 02 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027C1049B000, 16 bytes long.
 Data: <  &#230;Z&#247;           > 10 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027C1049B190, 16 bytes long.
 Data: <p &#230;Z&#247;           > 70 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027C1049B140, 16 bytes long.
 Data: < &#192;&#228;Z&#247;           > 18 C0 E4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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