Task 38678327

Name test_832-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND9666_0
Workunit 31620152
Created 26 Oct 2026, 17:03:52 UTC
Sent 26 Oct 2026, 17:03:57 UTC
Report deadline 31 Oct 2026, 17:03:57 UTC
Received 29 Oct 2026, 0:08:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653511
Run time 23 min 44 sec
CPU time 20 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,752.94 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 762.35 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:45:58 (8520): wrapper (7.9.26016): starting
00:45:58 (8520): 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
00:46:02 (8520): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:46:02 (8520): 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\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 'C:\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: Exiting with failure status due to previous errors
01:08:03 (8520): C:/Windows/system32/cmd.exe exited; CPU time 1200.703125
01:08:03 (8520): 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: 19621107 bytes.
Dumping objects ->
{3835458} normal block at 0x00000268C5144830, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x00000268C51447C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x00000268C5144750, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x00000268C5144980, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x00000268C5144C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x00000268C6D7A7C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x00000268C6D8E9B0, 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) : {3835369} normal block at 0x00000268C513CE60, 8 bytes long.
 Data: <   &#197;h   > 00 00 0C C5 68 02 00 00 
{3834648} normal block at 0x00000268C6D8E6F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x00000268C513D3B0, 8 bytes long.
 Data: < &#249;&#207;&#198;h   > 10 F9 CF C6 68 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000268C5140B60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000268C5135E30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000268C5145750, 16 bytes long.
 Data: <Hd &#197;h           > 48 64 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000268C5146010, 16 bytes long.
 Data: < d &#197;h           > 20 64 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000268C513F0D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x00000268C5145F70, 16 bytes long.
 Data: <&#248;c &#197;h           > F8 63 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000268C5145FC0, 16 bytes long.
 Data: <&#208;c &#197;h           > D0 63 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000268C5145200, 16 bytes long.
 Data: <&#168;c &#197;h           > A8 63 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000268C5145160, 16 bytes long.
 Data: < c &#197;h           > 80 63 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000268C5144B40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000268C5145930, 16 bytes long.
 Data: < E &#197;h           > 08 45 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000268C513EA70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000268C5145480, 16 bytes long.
 Data: <&#224;D &#197;h           > E0 44 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000268C5145890, 16 bytes long.
 Data: <&#184;D &#197;h           > B8 44 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000268C51458E0, 16 bytes long.
 Data: < D &#197;h           > 90 44 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000268C5146060, 16 bytes long.
 Data: <hD &#197;h           > 68 44 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000268C5145430, 16 bytes long.
 Data: <@D &#197;h           > 40 44 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000268C5145F20, 16 bytes long.
 Data: < D &#197;h           > 18 44 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000268C513F130, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000268C5145D90, 16 bytes long.
 Data: <&#240;C &#197;h           > F0 43 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000268C51443F0, 320 bytes long.
 Data: < ] &#197;h   0&#241; &#197;h   > 90 5D 14 C5 68 02 00 00 30 F1 13 C5 68 02 00 00 
{272} normal block at 0x00000268C5145980, 16 bytes long.
 Data: <`c &#197;h           > 60 63 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000268C51457A0, 16 bytes long.
 Data: <8c &#197;h           > 38 63 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000268C513F070, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000268C51460B0, 16 bytes long.
 Data: < c &#197;h           > 10 63 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000268C513E770, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000268C5145CF0, 16 bytes long.
 Data: <Xb &#197;h           > 58 62 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000268C5145660, 16 bytes long.
 Data: <0b &#197;h           > 30 62 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000268C5145340, 16 bytes long.
 Data: < b &#197;h           > 08 62 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000268C5145CA0, 16 bytes long.
 Data: <&#224;a &#197;h           > E0 61 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000268C5145B10, 16 bytes long.
 Data: <&#184;a &#197;h           > B8 61 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000268C5145C50, 16 bytes long.
 Data: < a &#197;h           > 90 61 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000268C51455C0, 16 bytes long.
 Data: <pF &#197;h           > 70 46 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000268C5144670, 40 bytes long.
 Data: <&#192;U &#197;h   &#192;&#167;&#215;&#198;h   > C0 55 14 C5 68 02 00 00 C0 A7 D7 C6 68 02 00 00 
{258} normal block at 0x00000268C51451B0, 16 bytes long.
 Data: <pa &#197;h           > 70 61 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000268C51454D0, 16 bytes long.
 Data: <Ha &#197;h           > 48 61 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000268C513EE90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000268C5145C00, 16 bytes long.
 Data: < a &#197;h           > 20 61 14 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000268C5146120, 992 bytes long.
 Data: < \ &#197;h    &#238; &#197;h   > 00 5C 14 C5 68 02 00 00 90 EE 13 C5 68 02 00 00 
{90} normal block at 0x00000268C513E890, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x00000268C513D0E0, 16 bytes long.
 Data: <&#240;&#227; &#197;h           > F0 E3 13 C5 68 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000268C513E3F0, 40 bytes long.
 Data: <&#224;&#208; &#197;h    &#232; &#197;h   > E0 D0 13 C5 68 02 00 00 90 E8 13 C5 68 02 00 00 
{67} normal block at 0x00000268C513D680, 16 bytes long.
 Data: < &#234;x#&#246;           > 80 EA 78 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000268C513D630, 16 bytes long.
 Data: <@&#233;x#&#246;           > 40 E9 78 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000268C513D040, 16 bytes long.
 Data: <&#248;Wu#&#246;           > F8 57 75 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000268C513D770, 16 bytes long.
 Data: <&#216;Wu#&#246;           > D8 57 75 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000268C513D4A0, 16 bytes long.
 Data: <P u#&#246;           > 50 04 75 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000268C513CB40, 16 bytes long.
 Data: <0 u#&#246;           > 30 04 75 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000268C513CF00, 16 bytes long.
 Data: <&#224; u#&#246;           > E0 02 75 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000268C513D9F0, 16 bytes long.
 Data: <  u#&#246;           > 10 04 75 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000268C513DA40, 16 bytes long.
 Data: <p u#&#246;           > 70 04 75 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000268C513D130, 16 bytes long.
 Data: < &#192;s#&#246;           > 18 C0 73 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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