Task 38699465

Name test_750-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8269_0
Workunit 31639864
Created 4 Nov 2026, 9:44:59 UTC
Sent 4 Nov 2026, 9:45:01 UTC
Report deadline 9 Nov 2026, 9:45:01 UTC
Received 4 Nov 2026, 11:21:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 485535
Run time 1 hours 4 min 12 sec
CPU time 56 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.07 MB
Peak swap size 2.38 GB
Peak disk usage 3.48 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:18:44 (14408): wrapper (7.9.26016): starting
11:18:44 (14408): 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
11:18:48 (14408): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:18:48 (14408): 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\1\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\1\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
12:20:16 (14408): C:/Windows/system32/cmd.exe exited; CPU time 3365.687500
12:20:17 (14408): 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: 50704205 bytes.
Dumping objects ->
{3835416} normal block at 0x00000169586B1370, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x00000169586B18B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x00000169586B11B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835383} normal block at 0x00000169586B17D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x00000169586B15A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835341} normal block at 0x000001695875BF40, 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) : {3835328} normal block at 0x0000016956D36F10, 8 bytes long.
 Data: <  &#201;Vi   > 00 00 C9 56 69 01 00 00 
{3833949} normal block at 0x0000016956D36EC0, 8 bytes long.
 Data: <&#192; xXi   > C0 16 78 58 69 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000016956D40FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016956D25C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000016956D42DF0, 16 bytes long.
 Data: <(6&#212;Vi           > 28 36 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016956D41F90, 16 bytes long.
 Data: < 6&#212;Vi           > 00 36 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016956D3D3A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000016956D42B20, 16 bytes long.
 Data: <&#216;5&#212;Vi           > D8 35 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016956D42DA0, 16 bytes long.
 Data: <&#176;5&#212;Vi           > B0 35 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016956D428A0, 16 bytes long.
 Data: < 5&#212;Vi           > 88 35 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016956D422B0, 16 bytes long.
 Data: <`5&#212;Vi           > 60 35 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016956D3B490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000016956D42800, 16 bytes long.
 Data: < \&#210;Vi           > 08 5C D2 56 69 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016956D3C8C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000016956D42BC0, 16 bytes long.
 Data: <&#224;[&#210;Vi           > E0 5B D2 56 69 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016956D41F40, 16 bytes long.
 Data: <&#184;[&#210;Vi           > B8 5B D2 56 69 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016956D42260, 16 bytes long.
 Data: < [&#210;Vi           > 90 5B D2 56 69 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016956D42E90, 16 bytes long.
 Data: <h[&#210;Vi           > 68 5B D2 56 69 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016956D42B70, 16 bytes long.
 Data: <@[&#210;Vi           > 40 5B D2 56 69 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016956D428F0, 16 bytes long.
 Data: < [&#210;Vi           > 18 5B D2 56 69 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016956D3CE60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000016956D42760, 16 bytes long.
 Data: <&#240;Z&#210;Vi           > F0 5A D2 56 69 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016956D25AF0, 320 bytes long.
 Data: <`'&#212;Vi   `&#206;&#211;Vi   > 60 27 D4 56 69 01 00 00 60 CE D3 56 69 01 00 00 
{270} normal block at 0x0000016956D426C0, 16 bytes long.
 Data: <@5&#212;Vi           > 40 35 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016956D42AD0, 16 bytes long.
 Data: < 5&#212;Vi           > 18 35 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016956D3C560, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000016956D42E40, 16 bytes long.
 Data: <&#240;4&#212;Vi           > F0 34 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016956D3CE00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000016956D42620, 16 bytes long.
 Data: <84&#212;Vi           > 38 34 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016956D42850, 16 bytes long.
 Data: < 4&#212;Vi           > 10 34 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016956D42A80, 16 bytes long.
 Data: <&#232;3&#212;Vi           > E8 33 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016956D42210, 16 bytes long.
 Data: <&#192;3&#212;Vi           > C0 33 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016956D42940, 16 bytes long.
 Data: < 3&#212;Vi           > 98 33 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016956D42580, 16 bytes long.
 Data: <p3&#212;Vi           > 70 33 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016956D42A30, 16 bytes long.
 Data: < &#177;&#211;Vi           > 10 B1 D3 56 69 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016956D3B110, 40 bytes long.
 Data: <0*&#212;Vi   @&#191;uXi   > 30 2A D4 56 69 01 00 00 40 BF 75 58 69 01 00 00 
{256} normal block at 0x0000016956D42670, 16 bytes long.
 Data: <P3&#212;Vi           > 50 33 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016956D42530, 16 bytes long.
 Data: <(3&#212;Vi           > 28 33 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000016956D3CC20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000016956D424E0, 16 bytes long.
 Data: < 3&#212;Vi           > 00 33 D4 56 69 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000016956D43300, 992 bytes long.
 Data: <&#224;$&#212;Vi    &#204;&#211;Vi   > E0 24 D4 56 69 01 00 00 20 CC D3 56 69 01 00 00 
{88} normal block at 0x0000016956D3C680, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000016956D36D30, 16 bytes long.
 Data: <&#176;&#179;&#211;Vi           > B0 B3 D3 56 69 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000016956D3B3B0, 40 bytes long.
 Data: <0m&#211;Vi    &#198;&#211;Vi   > 30 6D D3 56 69 01 00 00 80 C6 D3 56 69 01 00 00 
{65} normal block at 0x0000016956D36B50, 16 bytes long.
 Data: < &#234;g&#184;&#247;           > 80 EA 67 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016956D36650, 16 bytes long.
 Data: <@&#233;g&#184;&#247;           > 40 E9 67 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016956D36B00, 16 bytes long.
 Data: <&#248;Wd&#184;&#247;           > F8 57 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016956D365B0, 16 bytes long.
 Data: <&#216;Wd&#184;&#247;           > D8 57 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016956D36D80, 16 bytes long.
 Data: <P d&#184;&#247;           > 50 04 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016956D36BF0, 16 bytes long.
 Data: <0 d&#184;&#247;           > 30 04 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016956D36CE0, 16 bytes long.
 Data: <&#224; d&#184;&#247;           > E0 02 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016956D36880, 16 bytes long.
 Data: <  d&#184;&#247;           > 10 04 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016956D36790, 16 bytes long.
 Data: <p d&#184;&#247;           > 70 04 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000016956D36600, 16 bytes long.
 Data: < &#192;b&#184;&#247;           > 18 C0 62 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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