Task 38685009

Name test_308-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND3323_0
Workunit 31626501
Created 27 Oct 2026, 18:59:15 UTC
Sent 27 Oct 2026, 18:59:21 UTC
Report deadline 1 Nov 2026, 18:59:21 UTC
Received 27 Oct 2026, 19:47:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585156
Run time 36 min 53 sec
CPU time 35 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.74 MB
Peak swap size 7.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:10:03 (18904): wrapper (7.9.26016): starting
20:10:03 (18904): 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
20:10:04 (18904): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:10:04 (18904): 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\2\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\2\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
20:46:07 (18904): C:/Windows/system32/cmd.exe exited; CPU time 2152.328125
20:46:07 (18904): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 37253811 bytes.
Dumping objects ->
{3835244} normal block at 0x0000012F89136810, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000012F89137370, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000012F891366C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x0000012F89137290, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x0000012F891367A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x0000012F89137890, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000012F8AC8E190, 102 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) : {3835155} normal block at 0x0000012F891070F0, 8 bytes long.
 Data: <   &#137;/   > 00 00 0E 89 2F 01 00 00 
{3834549} normal block at 0x0000012F8AC8DF80, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000012F89107820, 8 bytes long.
 Data: <Pr&#204;&#138;/   > 50 72 CC 8A 2F 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000012F89111D00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000012F890F60C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000012F89113330, 16 bytes long.
 Data: <8C &#137;/           > 38 43 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000012F891130B0, 16 bytes long.
 Data: < C &#137;/           > 10 43 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000012F8910B9D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000012F89113060, 16 bytes long.
 Data: <&#232;B &#137;/           > E8 42 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012F89112E30, 16 bytes long.
 Data: <&#192;B &#137;/           > C0 42 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000012F891131A0, 16 bytes long.
 Data: < B &#137;/           > 98 42 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000012F89112D90, 16 bytes long.
 Data: <pB &#137;/           > 70 42 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012F8910DBF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000012F891135B0, 16 bytes long.
 Data: <&#168;&#216; &#137;/           > A8 D8 10 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012F8910BD30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000012F89112D40, 16 bytes long.
 Data: < &#216; &#137;/           > 80 D8 10 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012F89112FC0, 16 bytes long.
 Data: <X&#216; &#137;/           > 58 D8 10 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012F89112F20, 16 bytes long.
 Data: <0&#216; &#137;/           > 30 D8 10 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012F89112CF0, 16 bytes long.
 Data: < &#216; &#137;/           > 08 D8 10 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012F89113BA0, 16 bytes long.
 Data: <&#224;&#215; &#137;/           > E0 D7 10 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012F89113920, 16 bytes long.
 Data: <&#184;&#215; &#137;/           > B8 D7 10 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012F8910BA90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000012F891138D0, 16 bytes long.
 Data: < &#215; &#137;/           > 90 D7 10 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012F8910D790, 320 bytes long.
 Data: <&#208;8 &#137;/    &#186; &#137;/   > D0 38 11 89 2F 01 00 00 90 BA 10 89 2F 01 00 00 
{278} normal block at 0x0000012F89113010, 16 bytes long.
 Data: <PB &#137;/           > 50 42 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012F89113830, 16 bytes long.
 Data: <(B &#137;/           > 28 42 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012F8910C0F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000012F89113B00, 16 bytes long.
 Data: < B &#137;/           > 00 42 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012F8910C030, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000012F89113790, 16 bytes long.
 Data: <HA &#137;/           > 48 41 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012F891137E0, 16 bytes long.
 Data: < A &#137;/           > 20 41 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012F89113420, 16 bytes long.
 Data: <&#248;@ &#137;/           > F8 40 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000012F89113B50, 16 bytes long.
 Data: <&#208;@ &#137;/           > D0 40 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012F89112ED0, 16 bytes long.
 Data: <&#168;@ &#137;/           > A8 40 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012F89113240, 16 bytes long.
 Data: < @ &#137;/           > 80 40 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012F891132E0, 16 bytes long.
 Data: <p&#223; &#137;/           > 70 DF 10 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012F8910DF70, 40 bytes long.
 Data: <&#224;2 &#137;/    x &#137;/   > E0 32 11 89 2F 01 00 00 90 78 13 89 2F 01 00 00 
{264} normal block at 0x0000012F891136F0, 16 bytes long.
 Data: <`@ &#137;/           > 60 40 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012F89112CA0, 16 bytes long.
 Data: <8@ &#137;/           > 38 40 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000012F8910C390, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000012F89113150, 16 bytes long.
 Data: < @ &#137;/           > 10 40 11 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000012F89114010, 992 bytes long.
 Data: <P1 &#137;/    &#195; &#137;/   > 50 31 11 89 2F 01 00 00 90 C3 10 89 2F 01 00 00 
{96} normal block at 0x0000012F8910C870, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000012F89106CE0, 16 bytes long.
 Data: <`&#220; &#137;/           > 60 DC 10 89 2F 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000012F8910DC60, 40 bytes long.
 Data: <&#224;l &#137;/   p&#200; &#137;/   > E0 6C 10 89 2F 01 00 00 70 C8 10 89 2F 01 00 00 
{73} normal block at 0x0000012F89107B40, 16 bytes long.
 Data: < &#234;&#235;n&#246;           > 80 EA EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000012F89107370, 16 bytes long.
 Data: <@&#233;&#235;n&#246;           > 40 E9 EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000012F89107AF0, 16 bytes long.
 Data: <&#248;W&#232;n&#246;           > F8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000012F89107A00, 16 bytes long.
 Data: <&#216;W&#232;n&#246;           > D8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012F891070A0, 16 bytes long.
 Data: <P &#232;n&#246;           > 50 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012F89106F60, 16 bytes long.
 Data: <0 &#232;n&#246;           > 30 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012F89106F10, 16 bytes long.
 Data: <&#224; &#232;n&#246;           > E0 02 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000012F891074B0, 16 bytes long.
 Data: <  &#232;n&#246;           > 10 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000012F89107410, 16 bytes long.
 Data: <p &#232;n&#246;           > 70 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000012F89107910, 16 bytes long.
 Data: < &#192;&#230;n&#246;           > 18 C0 E6 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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