Task 38697364

Name test_481-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2644_0
Workunit 31637946
Created 1 Nov 2026, 13:20:13 UTC
Sent 1 Nov 2026, 13:20:15 UTC
Report deadline 6 Nov 2026, 13:20:15 UTC
Received 1 Nov 2026, 16:52:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654967
Run time 53 min 1 sec
CPU time 52 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 646.52 MB
Peak swap size 6.83 GB
Peak disk usage 3.92 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
15:54:54 (1360): wrapper (7.9.26016): starting
15:54:54 (1360): 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
15:54:55 (1360): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:54:55 (1360): 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\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 'D:\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
16:47:16 (1360): C:/Windows/system32/cmd.exe exited; CPU time 3134.562500
16:47:16 (1360): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 37008749 bytes.
Dumping objects ->
{3835313} normal block at 0x0000021E50907A70, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835302} normal block at 0x0000021E50907FB0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x0000021E50907F40, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835280} normal block at 0x0000021E4EE6B560, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x0000021E4EE6B100, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835238} normal block at 0x0000021E508AAF40, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000021E4EE69110, 200 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) : {3835224} normal block at 0x0000021E4EE67050, 8 bytes long.
 Data: <   P    > 00 00 7F 50 1E 02 00 00 
{3834581} normal block at 0x0000021E4EE69BB0, 200 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 0x0000021E4EE666A0, 8 bytes long.
 Data: <&#208; &#131;P    > D0 10 83 50 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000021E4EE70F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021E4EE55C50, 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 0x0000021E4EE72610, 16 bytes long.
 Data: <x5&#231;N            > 78 35 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021E4EE72110, 16 bytes long.
 Data: <P5&#231;N            > 50 35 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021E4EE6D110, 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 0x0000021E4EE72980, 16 bytes long.
 Data: <(5&#231;N            > 28 35 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021E4EE72930, 16 bytes long.
 Data: < 5&#231;N            > 00 35 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021E4EE71E90, 16 bytes long.
 Data: <&#216;4&#231;N            > D8 34 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021E4EE72840, 16 bytes long.
 Data: <&#176;4&#231;N            > B0 34 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021E4EE6B640, 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 0x0000021E4EE72570, 16 bytes long.
 Data: <&#232;[&#229;N            > E8 5B E5 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021E4EE6C570, 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 0x0000021E4EE725C0, 16 bytes long.
 Data: <&#192;[&#229;N            > C0 5B E5 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021E4EE72520, 16 bytes long.
 Data: < [&#229;N            > 98 5B E5 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021E4EE724D0, 16 bytes long.
 Data: <p[&#229;N            > 70 5B E5 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021E4EE72430, 16 bytes long.
 Data: <H[&#229;N            > 48 5B E5 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021E4EE723E0, 16 bytes long.
 Data: < [&#229;N            > 20 5B E5 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021E4EE720C0, 16 bytes long.
 Data: <&#248;Z&#229;N            > F8 5A E5 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021E4EE6C810, 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 0x0000021E4EE72480, 16 bytes long.
 Data: <&#208;Z&#229;N            > D0 5A E5 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021E4EE55AD0, 320 bytes long.
 Data: < $&#231;N     &#200;&#230;N    > 80 24 E7 4E 1E 02 00 00 10 C8 E6 4E 1E 02 00 00 
{269} normal block at 0x0000021E4EE726B0, 16 bytes long.
 Data: < 4&#231;N            > 90 34 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021E4EE727A0, 16 bytes long.
 Data: <h4&#231;N            > 68 34 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021E4EE6CE70, 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 0x0000021E4EE72750, 16 bytes long.
 Data: <@4&#231;N            > 40 34 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021E4EE6C8D0, 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 0x0000021E4EE72390, 16 bytes long.
 Data: < 3&#231;N            > 88 33 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021E4EE72BB0, 16 bytes long.
 Data: <`3&#231;N            > 60 33 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021E4EE72070, 16 bytes long.
 Data: <83&#231;N            > 38 33 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021E4EE72890, 16 bytes long.
 Data: < 3&#231;N            > 10 33 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021E4EE722F0, 16 bytes long.
 Data: <&#232;2&#231;N            > E8 32 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021E4EE71FD0, 16 bytes long.
 Data: <&#192;2&#231;N            > C0 32 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021E4EE722A0, 16 bytes long.
 Data: < &#183;&#230;N            > 20 B7 E6 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021E4EE6B720, 40 bytes long.
 Data: <&#160;"&#231;N    @&#175;&#138;P    > A0 22 E7 4E 1E 02 00 00 40 AF 8A 50 1E 02 00 00 
{255} normal block at 0x0000021E4EE72C00, 16 bytes long.
 Data: <&#160;2&#231;N            > A0 32 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021E4EE71F80, 16 bytes long.
 Data: <x2&#231;N            > 78 32 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021E4EE6C510, 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 0x0000021E4EE728E0, 16 bytes long.
 Data: <P2&#231;N            > 50 32 E7 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000021E4EE73250, 992 bytes long.
 Data: <&#224;(&#231;N     &#197;&#230;N    > E0 28 E7 4E 1E 02 00 00 10 C5 E6 4E 1E 02 00 00 
{87} normal block at 0x0000021E4EE6C870, 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 0x0000021E4EE66560, 16 bytes long.
 Data: <P&#178;&#230;N            > 50 B2 E6 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000021E4EE6B250, 40 bytes long.
 Data: <`e&#230;N    p&#200;&#230;N    > 60 65 E6 4E 1E 02 00 00 70 C8 E6 4E 1E 02 00 00 
{64} normal block at 0x0000021E4EE66510, 16 bytes long.
 Data: < &#234;Z&#227;&#246;           > 80 EA 5A E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021E4EE662E0, 16 bytes long.
 Data: <@&#233;Z&#227;&#246;           > 40 E9 5A E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021E4EE66DD0, 16 bytes long.
 Data: <&#248;WW&#227;&#246;           > F8 57 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021E4EE66D80, 16 bytes long.
 Data: <&#216;WW&#227;&#246;           > D8 57 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021E4EE66F60, 16 bytes long.
 Data: <P W&#227;&#246;           > 50 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021E4EE66E70, 16 bytes long.
 Data: <0 W&#227;&#246;           > 30 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021E4EE67000, 16 bytes long.
 Data: <&#224; W&#227;&#246;           > E0 02 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021E4EE66A10, 16 bytes long.
 Data: <  W&#227;&#246;           > 10 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021E4EE66970, 16 bytes long.
 Data: <p W&#227;&#246;           > 70 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000021E4EE66650, 16 bytes long.
 Data: < &#192;U&#227;&#246;           > 18 C0 55 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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