Task 38684220

Name test_867-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND9846_0
Workunit 31625741
Created 27 Oct 2026, 15:16:15 UTC
Sent 27 Oct 2026, 15:16:20 UTC
Report deadline 1 Nov 2026, 15:16:20 UTC
Received 27 Oct 2026, 22:17:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647027
Run time 1 hours 13 min 31 sec
CPU time 1 hours 10 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,809.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.48 MB
Peak swap size 12.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:04:58 (12964): wrapper (7.9.26016): starting
22:04:58 (12964): 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
22:05:00 (12964): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:05:00 (12964): 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\24\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\24\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
23:16:01 (12964): C:/Windows/system32/cmd.exe exited; CPU time 4223.281250
23:16:01 (12964): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 56055489 bytes.
Dumping objects ->
{3835251} normal block at 0x000001B7CE8408B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001B7CE841640, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001B7CE841560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000001B7CE840ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001B7CE8412C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000001B7CE934140, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001B7CCCAC4D0, 145 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) : {3835162} normal block at 0x000001B7CCC569B0, 8 bytes long.
 Data: <  &#193;&#204;&#183;   > 00 00 C1 CC B7 01 00 00 
{3834552} normal block at 0x000001B7CCCABCB0, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001B7CCC56410, 8 bytes long.
 Data: <p  &#206;&#183;   > 70 1D 99 CE B7 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001B7CCC60FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B7CCC45C40, 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 0x000001B7CCC62710, 16 bytes long.
 Data: <(6&#198;&#204;&#183;           > 28 36 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B7CCC625D0, 16 bytes long.
 Data: < 6&#198;&#204;&#183;           > 00 36 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B7CCC5D220, 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 0x000001B7CCC62B70, 16 bytes long.
 Data: <&#216;5&#198;&#204;&#183;           > D8 35 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B7CCC62030, 16 bytes long.
 Data: <&#176;5&#198;&#204;&#183;           > B0 35 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B7CCC624E0, 16 bytes long.
 Data: < 5&#198;&#204;&#183;           > 88 35 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B7CCC62CB0, 16 bytes long.
 Data: <`5&#198;&#204;&#183;           > 60 35 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B7CCC5B460, 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 0x000001B7CCC61FE0, 16 bytes long.
 Data: <&#216;[&#196;&#204;&#183;           > D8 5B C4 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B7CCC5C9E0, 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 0x000001B7CCC62E40, 16 bytes long.
 Data: <&#176;[&#196;&#204;&#183;           > B0 5B C4 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B7CCC62C60, 16 bytes long.
 Data: < [&#196;&#204;&#183;           > 88 5B C4 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B7CCC62A80, 16 bytes long.
 Data: <`[&#196;&#204;&#183;           > 60 5B C4 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B7CCC62580, 16 bytes long.
 Data: <8[&#196;&#204;&#183;           > 38 5B C4 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B7CCC628A0, 16 bytes long.
 Data: < [&#196;&#204;&#183;           > 10 5B C4 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B7CCC626C0, 16 bytes long.
 Data: <&#232;Z&#196;&#204;&#183;           > E8 5A C4 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B7CCC5CB60, 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 0x000001B7CCC62670, 16 bytes long.
 Data: <&#192;Z&#196;&#204;&#183;           > C0 5A C4 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B7CCC45AC0, 320 bytes long.
 Data: <p&&#198;&#204;&#183;   `&#203;&#197;&#204;&#183;   > 70 26 C6 CC B7 01 00 00 60 CB C5 CC B7 01 00 00 
{270} normal block at 0x000001B7CCC62300, 16 bytes long.
 Data: <@5&#198;&#204;&#183;           > 40 35 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B7CCC62A30, 16 bytes long.
 Data: < 5&#198;&#204;&#183;           > 18 35 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B7CCC5CF80, 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 0x000001B7CCC622B0, 16 bytes long.
 Data: <&#240;4&#198;&#204;&#183;           > F0 34 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B7CCC5CE00, 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 0x000001B7CCC62C10, 16 bytes long.
 Data: <84&#198;&#204;&#183;           > 38 34 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B7CCC62120, 16 bytes long.
 Data: < 4&#198;&#204;&#183;           > 10 34 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B7CCC62B20, 16 bytes long.
 Data: <&#232;3&#198;&#204;&#183;           > E8 33 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B7CCC62DF0, 16 bytes long.
 Data: <&#192;3&#198;&#204;&#183;           > C0 33 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B7CCC62440, 16 bytes long.
 Data: < 3&#198;&#204;&#183;           > 98 33 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B7CCC62620, 16 bytes long.
 Data: <p3&#198;&#204;&#183;           > 70 33 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B7CCC623F0, 16 bytes long.
 Data: < &#182;&#197;&#204;&#183;           > 90 B6 C5 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B7CCC5B690, 40 bytes long.
 Data: <&#240;#&#198;&#204;&#183;   @A&#147;&#206;&#183;   > F0 23 C6 CC B7 01 00 00 40 41 93 CE B7 01 00 00 
{256} normal block at 0x000001B7CCC62AD0, 16 bytes long.
 Data: <P3&#198;&#204;&#183;           > 50 33 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B7CCC627B0, 16 bytes long.
 Data: <(3&#198;&#204;&#183;           > 28 33 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B7CCC5D160, 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 0x000001B7CCC62490, 16 bytes long.
 Data: < 3&#198;&#204;&#183;           > 00 33 C6 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B7CCC63300, 992 bytes long.
 Data: < $&#198;&#204;&#183;   `&#209;&#197;&#204;&#183;   > 90 24 C6 CC B7 01 00 00 60 D1 C5 CC B7 01 00 00 
{88} normal block at 0x000001B7CCC5D100, 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 0x000001B7CCC56FF0, 16 bytes long.
 Data: < &#183;&#197;&#204;&#183;           > 00 B7 C5 CC B7 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001B7CCC5B700, 40 bytes long.
 Data: <&#240;o&#197;&#204;&#183;    &#209;&#197;&#204;&#183;   > F0 6F C5 CC B7 01 00 00 00 D1 C5 CC B7 01 00 00 
{65} normal block at 0x000001B7CCC56F50, 16 bytes long.
 Data: < &#234;&#244;&#181;&#246;           > 80 EA F4 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B7CCC56730, 16 bytes long.
 Data: <@&#233;&#244;&#181;&#246;           > 40 E9 F4 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B7CCC563C0, 16 bytes long.
 Data: <&#248;W&#241;&#181;&#246;           > F8 57 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B7CCC56960, 16 bytes long.
 Data: <&#216;W&#241;&#181;&#246;           > D8 57 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B7CCC56A50, 16 bytes long.
 Data: <P &#241;&#181;&#246;           > 50 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B7CCC57270, 16 bytes long.
 Data: <0 &#241;&#181;&#246;           > 30 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B7CCC56A00, 16 bytes long.
 Data: <&#224; &#241;&#181;&#246;           > E0 02 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B7CCC565F0, 16 bytes long.
 Data: <  &#241;&#181;&#246;           > 10 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B7CCC56910, 16 bytes long.
 Data: <p &#241;&#181;&#246;           > 70 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B7CCC571D0, 16 bytes long.
 Data: < &#192;&#239;&#181;&#246;           > 18 C0 EF B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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