Task 38691917

Name test_950-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND1572_0
Workunit 31632856
Created 29 Oct 2026, 17:33:16 UTC
Sent 29 Oct 2026, 17:33:24 UTC
Report deadline 3 Nov 2026, 17:33:24 UTC
Received 29 Oct 2026, 18:05:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641444
Run time 29 min 40 sec
CPU time 26 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.28 MB
Peak swap size 5.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:37:00 (36428): wrapper (7.9.26016): starting
18:37:00 (36428): 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
18:37:02 (36428): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:37:02 (36428): 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:\Boinc\slots\13\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:\Boinc\slots\13\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
19:05:15 (36428): C:/Windows/system32/cmd.exe exited; CPU time 1596.656250
19:05:15 (36428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 34715043 bytes.
Dumping objects ->
{3835502} normal block at 0x0000020349379080, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835491} normal block at 0x000002034B085170, 32 bytes long.
 Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835480} normal block at 0x000002034B084F30, 32 bytes long.
 Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835469} normal block at 0x000002034B085E30, 32 bytes long.
 Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835458} normal block at 0x000002034B085F50, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835427} normal block at 0x00000203493784B0, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835414} normal block at 0x000002034934CD60, 8 bytes long.
 Data: <  &#139;I    > 00 00 8B 49 03 02 00 00 
{3833969} normal block at 0x000002034934CA40, 8 bytes long.
 Data: <&#224;&#189;7I    > E0 BD 37 49 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020349351AA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020349345C20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000203493558C0, 16 bytes long.
 Data: <&#232;b5I            > E8 62 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020349355DC0, 16 bytes long.
 Data: <&#192;b5I            > C0 62 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002034934F280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000203493550A0, 16 bytes long.
 Data: < b5I            > 98 62 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000203493555F0, 16 bytes long.
 Data: <pb5I            > 70 62 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020349355C80, 16 bytes long.
 Data: <Hb5I            > 48 62 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020349355B90, 16 bytes long.
 Data: < b5I            > 20 62 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002034934F610, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000020349355050, 16 bytes long.
 Data: <(&#246;3I            > 28 F6 33 49 03 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002034934E680, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000020349355550, 16 bytes long.
 Data: < &#246;3I            > 00 F6 33 49 03 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020349355820, 16 bytes long.
 Data: <&#216;&#245;3I            > D8 F5 33 49 03 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000203493552D0, 16 bytes long.
 Data: <&#176;&#245;3I            > B0 F5 33 49 03 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020349355870, 16 bytes long.
 Data: < &#245;3I            > 88 F5 33 49 03 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020349355A00, 16 bytes long.
 Data: <`&#245;3I            > 60 F5 33 49 03 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020349355B40, 16 bytes long.
 Data: <8&#245;3I            > 38 F5 33 49 03 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002034934F220, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000020349355500, 16 bytes long.
 Data: < &#245;3I            > 10 F5 33 49 03 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002034933F510, 320 bytes long.
 Data: < U5I     &#242;4I    > 00 55 35 49 03 02 00 00 20 F2 34 49 03 02 00 00 
{280} normal block at 0x0000020349355C30, 16 bytes long.
 Data: < b5I            > 00 62 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020349355140, 16 bytes long.
 Data: <&#216;a5I            > D8 61 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002034934EC20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000203493557D0, 16 bytes long.
 Data: <&#176;a5I            > B0 61 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002034934EDA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000020349355280, 16 bytes long.
 Data: <&#248;`5I            > F8 60 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020349355230, 16 bytes long.
 Data: <&#208;`5I            > D0 60 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020349355460, 16 bytes long.
 Data: <&#168;`5I            > A8 60 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020349355AF0, 16 bytes long.
 Data: < `5I            > 80 60 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000203493555A0, 16 bytes long.
 Data: <X`5I            > 58 60 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020349355410, 16 bytes long.
 Data: <0`5I            > 30 60 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020349355A50, 16 bytes long.
 Data: <&#160;&#245;4I            > A0 F5 34 49 03 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002034934F5A0, 40 bytes long.
 Data: <PZ5I    &#176;&#132;7I    > 50 5A 35 49 03 02 00 00 B0 84 37 49 03 02 00 00 
{266} normal block at 0x00000203493559B0, 16 bytes long.
 Data: < `5I            > 10 60 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020349355D20, 16 bytes long.
 Data: <&#232;_5I            > E8 5F 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002034934F160, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000020349355AA0, 16 bytes long.
 Data: <&#192;_5I            > C0 5F 35 49 03 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020349355FC0, 992 bytes long.
 Data: <&#160;Z5I    `&#241;4I    > A0 5A 35 49 03 02 00 00 60 F1 34 49 03 02 00 00 
{98} normal block at 0x000002034934F1C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002034934CC20, 16 bytes long.
 Data: <P&#244;4I            > 50 F4 34 49 03 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002034934F450, 40 bytes long.
 Data: < &#204;4I    &#192;&#241;4I    > 20 CC 34 49 03 02 00 00 C0 F1 34 49 03 02 00 00 
{75} normal block at 0x000002034934CFE0, 16 bytes long.
 Data: < &#234; 3&#246;           > 80 EA 07 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002034934CB30, 16 bytes long.
 Data: <@&#233; 3&#246;           > 40 E9 07 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002034934D120, 16 bytes long.
 Data: <&#248;W 3&#246;           > F8 57 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002034934D7B0, 16 bytes long.
 Data: <&#216;W 3&#246;           > D8 57 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002034934CE50, 16 bytes long.
 Data: <P  3&#246;           > 50 04 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002034934CEF0, 16 bytes long.
 Data: <0  3&#246;           > 30 04 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002034934D8F0, 16 bytes long.
 Data: <&#224;  3&#246;           > E0 02 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002034934D2B0, 16 bytes long.
 Data: <   3&#246;           > 10 04 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002034934D8A0, 16 bytes long.
 Data: <p  3&#246;           > 70 04 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002034934D1C0, 16 bytes long.
 Data: < &#192; 3&#246;           > 18 C0 02 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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