Task 38668133

Name test_93-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND3284_0
Workunit 31610695
Created 25 Oct 2026, 10:46:21 UTC
Sent 25 Oct 2026, 10:46:24 UTC
Report deadline 30 Oct 2026, 10:46:24 UTC
Received 25 Oct 2026, 11:15:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641350
Run time 28 min 59 sec
CPU time 27 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.63 MB
Peak swap size 5.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:47:32 (19868): wrapper (7.9.26016): starting
11:47:32 (19868): 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
11:47:33 (19868): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:47:33 (19868): 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
12:15:29 (19868): C:/Windows/system32/cmd.exe exited; CPU time 1658.109375
12:15:29 (19868): 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: 23707257 bytes.
Dumping objects ->
{3835240} normal block at 0x0000020FA86C58E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000020FA86C5870, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000020FA86C5790, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x0000020FA86C5330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000020FA86C52C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x0000020FAA379580, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000020FAA38F720, 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) : {3835151} normal block at 0x0000020FA86BDC40, 8 bytes long.
 Data: <  i&#168;    > 00 00 69 A8 0F 02 00 00 
{3834545} normal block at 0x0000020FAA38F1A0, 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 0x0000020FA86BE3C0, 8 bytes long.
 Data: <&#192;&#233;8&#170;    > C0 E9 38 AA 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020FA86C20D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020FA86B7240, 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 0x0000020FA86C63B0, 16 bytes long.
 Data: <Hql&#168;            > 48 71 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020FA86C6360, 16 bytes long.
 Data: < ql&#168;            > 20 71 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020FA86C0660, 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 0x0000020FA86C6680, 16 bytes long.
 Data: <&#248;pl&#168;            > F8 70 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020FA86C6220, 16 bytes long.
 Data: <&#208;pl&#168;            > D0 70 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020FA86C6900, 16 bytes long.
 Data: <&#168;pl&#168;            > A8 70 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020FA86C61D0, 16 bytes long.
 Data: < pl&#168;            > 80 70 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020FA86C5640, 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 0x0000020FA86C68B0, 16 bytes long.
 Data: <(&#249;j&#168;            > 28 F9 6A A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020FA86C06C0, 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 0x0000020FA86C66D0, 16 bytes long.
 Data: < &#249;j&#168;            > 00 F9 6A A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020FA86C6270, 16 bytes long.
 Data: <&#216;&#248;j&#168;            > D8 F8 6A A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020FA86C6310, 16 bytes long.
 Data: <&#176;&#248;j&#168;            > B0 F8 6A A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020FA86C6A90, 16 bytes long.
 Data: < &#248;j&#168;            > 88 F8 6A A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020FA86C69A0, 16 bytes long.
 Data: <`&#248;j&#168;            > 60 F8 6A A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020FA86C6AE0, 16 bytes long.
 Data: <8&#248;j&#168;            > 38 F8 6A A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020FA86BFB80, 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 0x0000020FA86C6130, 16 bytes long.
 Data: < &#248;j&#168;            > 10 F8 6A A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020FA86AF810, 320 bytes long.
 Data: <0al&#168;     &#251;k&#168;    > 30 61 6C A8 0F 02 00 00 80 FB 6B A8 0F 02 00 00 
{276} normal block at 0x0000020FA86C6040, 16 bytes long.
 Data: <`pl&#168;            > 60 70 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020FA86C6860, 16 bytes long.
 Data: <8pl&#168;            > 38 70 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020FA86C05A0, 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 0x0000020FA86C6D60, 16 bytes long.
 Data: < pl&#168;            > 10 70 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020FA86BFAC0, 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 0x0000020FA86C5EB0, 16 bytes long.
 Data: <Xol&#168;            > 58 6F 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020FA86C5FF0, 16 bytes long.
 Data: <0ol&#168;            > 30 6F 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020FA86C5FA0, 16 bytes long.
 Data: < ol&#168;            > 08 6F 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020FA86C60E0, 16 bytes long.
 Data: <&#224;nl&#168;            > E0 6E 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020FA86C62C0, 16 bytes long.
 Data: <&#184;nl&#168;            > B8 6E 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020FA86C6400, 16 bytes long.
 Data: < nl&#168;            > 90 6E 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020FA86C67C0, 16 bytes long.
 Data: < Tl&#168;            > 80 54 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020FA86C5480, 40 bytes long.
 Data: <&#192;gl&#168;     &#149;7&#170;    > C0 67 6C A8 0F 02 00 00 80 95 37 AA 0F 02 00 00 
{262} normal block at 0x0000020FA86C6810, 16 bytes long.
 Data: <pnl&#168;            > 70 6E 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020FA86C6090, 16 bytes long.
 Data: <Hnl&#168;            > 48 6E 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020FA86BFDC0, 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 0x0000020FA86C5F00, 16 bytes long.
 Data: < nl&#168;            > 20 6E 6C A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020FA86C6E20, 992 bytes long.
 Data: < _l&#168;    &#192;&#253;k&#168;    > 00 5F 6C A8 0F 02 00 00 C0 FD 6B A8 0F 02 00 00 
{94} normal block at 0x0000020FA86C0180, 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 0x0000020FA86BDBF0, 16 bytes long.
 Data: < &#200;j&#168;            > 10 C8 6A A8 0F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020FA86AC810, 40 bytes long.
 Data: <&#240;&#219;k&#168;      l&#168;    > F0 DB 6B A8 0F 02 00 00 80 01 6C A8 0F 02 00 00 
{71} normal block at 0x0000020FA86BE190, 16 bytes long.
 Data: < &#234;7G&#246;           > 80 EA 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020FA86BDD30, 16 bytes long.
 Data: <@&#233;7G&#246;           > 40 E9 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020FA86BDF60, 16 bytes long.
 Data: <&#248;W4G&#246;           > F8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020FA86BE320, 16 bytes long.
 Data: <&#216;W4G&#246;           > D8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020FA86BE1E0, 16 bytes long.
 Data: <P 4G&#246;           > 50 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020FA86BDE70, 16 bytes long.
 Data: <0 4G&#246;           > 30 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020FA86BE000, 16 bytes long.
 Data: <&#224; 4G&#246;           > E0 02 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020FA86BE2D0, 16 bytes long.
 Data: <  4G&#246;           > 10 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020FA86BE4B0, 16 bytes long.
 Data: <p 4G&#246;           > 70 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020FA86BDE20, 16 bytes long.
 Data: < &#192;2G&#246;           > 18 C0 32 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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