Task 38676269

Name test_1836-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND8899_0
Workunit 31618197
Created 26 Oct 2026, 10:47:50 UTC
Sent 26 Oct 2026, 10:47:59 UTC
Report deadline 31 Oct 2026, 10:47:59 UTC
Received 26 Oct 2026, 11:17:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654845
Run time 24 min 48 sec
CPU time 18 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.77 MB
Peak swap size 1.67 GB
Peak disk usage 4.19 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:52:34 (9016): wrapper (7.9.26016): starting
12:52:34 (9016): 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
12:52:35 (9016): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:52:35 (9016): 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
13:15:22 (9016): C:/Windows/system32/cmd.exe exited; CPU time 1118.906250
13:15:22 (9016): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 16847293 bytes.
Dumping objects ->
{3835468} normal block at 0x000002029181C410, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000002029181C480, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x000002029181CC60, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835435} normal block at 0x000002028FD0AC40, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835424} normal block at 0x000002028FD0AD20, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835393} normal block at 0x0000020291863B90, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x000002028FDDCD00, 160 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) : {3835379} normal block at 0x000002028FD06B70, 8 bytes long.
 Data: <  m&#145;    > 00 00 6D 91 02 02 00 00 
{3834658} normal block at 0x000002028FDDD5C0, 160 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 0x000002028FD06620, 8 bytes long.
 Data: <  &#140;&#145;    > 10 07 8C 91 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002028FD0F9E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002028FCF5B30, 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 0x000002028FD111F0, 16 bytes long.
 Data: <&#232;.&#209;             > E8 2E D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002028FD10ED0, 16 bytes long.
 Data: <&#192;.&#209;             > C0 2E D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002028FD0C070, 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 0x000002028FD10C50, 16 bytes long.
 Data: < .&#209;             > 98 2E D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002028FD11100, 16 bytes long.
 Data: <p.&#209;             > 70 2E D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002028FD116F0, 16 bytes long.
 Data: <H.&#209;             > 48 2E D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002028FD11650, 16 bytes long.
 Data: < .&#209;             > 20 2E D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002028FD0AE00, 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 0x000002028FD10B10, 16 bytes long.
 Data: <&#200;Z&#207;             > C8 5A CF 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002028FD0C970, 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 0x000002028FD113D0, 16 bytes long.
 Data: <&#160;Z&#207;             > A0 5A CF 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002028FD10BB0, 16 bytes long.
 Data: <xZ&#207;             > 78 5A CF 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002028FD11010, 16 bytes long.
 Data: <PZ&#207;             > 50 5A CF 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002028FD10E80, 16 bytes long.
 Data: <(Z&#207;             > 28 5A CF 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002028FD10930, 16 bytes long.
 Data: < Z&#207;             > 00 5A CF 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002028FD10E30, 16 bytes long.
 Data: <&#216;Y&#207;             > D8 59 CF 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002028FD0C430, 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 0x000002028FD11560, 16 bytes long.
 Data: <&#176;Y&#207;             > B0 59 CF 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002028FCF59B0, 320 bytes long.
 Data: <` &#209;     0&#196;&#208;     > 60 15 D1 8F 02 02 00 00 30 C4 D0 8F 02 02 00 00 
{269} normal block at 0x000002028FD10D90, 16 bytes long.
 Data: < .&#209;             > 00 2E D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002028FD111A0, 16 bytes long.
 Data: <&#216;-&#209;             > D8 2D D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002028FD0C4F0, 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 0x000002028FD10B60, 16 bytes long.
 Data: <&#176;-&#209;             > B0 2D D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002028FD0C2B0, 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 0x000002028FD10CF0, 16 bytes long.
 Data: <&#248;,&#209;             > F8 2C D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002028FD10A70, 16 bytes long.
 Data: <&#208;,&#209;             > D0 2C D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002028FD116A0, 16 bytes long.
 Data: <&#168;,&#209;             > A8 2C D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002028FD11380, 16 bytes long.
 Data: < ,&#209;             > 80 2C D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002028FD108E0, 16 bytes long.
 Data: <X,&#209;             > 58 2C D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002028FD10AC0, 16 bytes long.
 Data: <0,&#209;             > 30 2C D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002028FD11060, 16 bytes long.
 Data: < &#177;&#208;             > 80 B1 D0 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002028FD0B180, 40 bytes long.
 Data: <` &#209;      ;&#134;&#145;    > 60 10 D1 8F 02 02 00 00 90 3B 86 91 02 02 00 00 
{255} normal block at 0x000002028FD107F0, 16 bytes long.
 Data: < ,&#209;             > 10 2C D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002028FD10F20, 16 bytes long.
 Data: <&#232;+&#209;             > E8 2B D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002028FD0C010, 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 0x000002028FD10DE0, 16 bytes long.
 Data: <&#192;+&#209;             > C0 2B D1 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002028FD12BC0, 992 bytes long.
 Data: <&#224; &#209;      &#192;&#208;     > E0 0D D1 8F 02 02 00 00 10 C0 D0 8F 02 02 00 00 
{87} normal block at 0x000002028FD0BDD0, 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 0x000002028FD065D0, 16 bytes long.
 Data: < &#173;&#208;             > 90 AD D0 8F 02 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002028FD0AD90, 40 bytes long.
 Data: <&#208;e&#208;     &#208;&#189;&#208;     > D0 65 D0 8F 02 02 00 00 D0 BD D0 8F 02 02 00 00 
{64} normal block at 0x000002028FD06030, 16 bytes long.
 Data: < &#234;3&#174;&#247;           > 80 EA 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002028FD063A0, 16 bytes long.
 Data: <@&#233;3&#174;&#247;           > 40 E9 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002028FD05F90, 16 bytes long.
 Data: <&#248;W0&#174;&#247;           > F8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002028FD06260, 16 bytes long.
 Data: <&#216;W0&#174;&#247;           > D8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002028FD05F40, 16 bytes long.
 Data: <P 0&#174;&#247;           > 50 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002028FD06350, 16 bytes long.
 Data: <0 0&#174;&#247;           > 30 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002028FD06580, 16 bytes long.
 Data: <&#224; 0&#174;&#247;           > E0 02 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002028FD06300, 16 bytes long.
 Data: <  0&#174;&#247;           > 10 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002028FD05DB0, 16 bytes long.
 Data: <p 0&#174;&#247;           > 70 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002028FD062B0, 16 bytes long.
 Data: < &#192;.&#174;&#247;           > 18 C0 2E AE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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