Task 38685968

Name test_110-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND7511_0
Workunit 31627420
Created 27 Oct 2026, 23:56:26 UTC
Sent 27 Oct 2026, 23:56:29 UTC
Report deadline 1 Nov 2026, 23:56:29 UTC
Received 28 Oct 2026, 1:03:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652367
Run time 54 min 26 sec
CPU time 49 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,724.80 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.79 MB
Peak swap size 12.99 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:10:47 (31376): wrapper (7.9.26016): starting
03:10:47 (31376): 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
03:10:49 (31376): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:10:49 (31376): 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\0\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\0\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
04:02:42 (31376): C:/Windows/system32/cmd.exe exited; CPU time 2973.203125
04:02:42 (31376): 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: 69897681 bytes.
Dumping objects ->
{3835530} normal block at 0x000001E7656D3680, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835519} normal block at 0x000001E7656D4020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000001E7656D3760, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835497} normal block at 0x000001E763884E30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x000001E763884D50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835455} normal block at 0x000001E76567B8A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835444} normal block at 0x000001E76568E720, 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) : {3835441} normal block at 0x000001E76387DFE0, 8 bytes long.
 Data: <  &#212;c&#231;   > 00 00 D4 63 E7 01 00 00 
{3834698} normal block at 0x000001E76568EBF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001E76387D7C0, 8 bytes long.
 Data: <&#176;&#229;&#149;c&#231;   > B0 E5 95 63 E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001E7638816B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E7638765C0, 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 0x000001E7638863B0, 16 bytes long.
 Data: <Hl c&#231;           > 48 6C 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E763885B90, 16 bytes long.
 Data: < l c&#231;           > 20 6C 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E763880560, 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 0x000001E7638859B0, 16 bytes long.
 Data: <&#248;k c&#231;           > F8 6B 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E763886360, 16 bytes long.
 Data: <&#208;k c&#231;           > D0 6B 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E763885AF0, 16 bytes long.
 Data: <&#168;k c&#231;           > A8 6B 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E763886090, 16 bytes long.
 Data: < k c&#231;           > 80 6B 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E763884FF0, 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 0x000001E763886630, 16 bytes long.
 Data: <&#232;&#200;&#134;c&#231;           > E8 C8 86 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E7638804A0, 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 0x000001E763885BE0, 16 bytes long.
 Data: <&#192;&#200;&#134;c&#231;           > C0 C8 86 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E763885A50, 16 bytes long.
 Data: < &#200;&#134;c&#231;           > 98 C8 86 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E7638865E0, 16 bytes long.
 Data: <p&#200;&#134;c&#231;           > 70 C8 86 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E7638864A0, 16 bytes long.
 Data: <H&#200;&#134;c&#231;           > 48 C8 86 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E763885A00, 16 bytes long.
 Data: < &#200;&#134;c&#231;           > 20 C8 86 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E763885FA0, 16 bytes long.
 Data: <&#248;&#199;&#134;c&#231;           > F8 C7 86 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E7638802C0, 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 0x000001E763886310, 16 bytes long.
 Data: <&#208;&#199;&#134;c&#231;           > D0 C7 86 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E76386C7D0, 320 bytes long.
 Data: < c c&#231;   &#192;  c&#231;   > 10 63 88 63 E7 01 00 00 C0 02 88 63 E7 01 00 00 
{280} normal block at 0x000001E763885C80, 16 bytes long.
 Data: <`k c&#231;           > 60 6B 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E763885960, 16 bytes long.
 Data: <8k c&#231;           > 38 6B 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E763880080, 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 0x000001E763886180, 16 bytes long.
 Data: < k c&#231;           > 10 6B 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E76387FCC0, 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 0x000001E763885E10, 16 bytes long.
 Data: <Xj c&#231;           > 58 6A 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E763885DC0, 16 bytes long.
 Data: <0j c&#231;           > 30 6A 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E7638862C0, 16 bytes long.
 Data: < j c&#231;           > 08 6A 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E763886450, 16 bytes long.
 Data: <&#224;i c&#231;           > E0 69 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E7638861D0, 16 bytes long.
 Data: <&#184;i c&#231;           > B8 69 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E763886270, 16 bytes long.
 Data: < i c&#231;           > 90 69 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E763886540, 16 bytes long.
 Data: < O c&#231;           > 80 4F 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E763884F80, 40 bytes long.
 Data: <@e c&#231;   &#160;&#184;ge&#231;   > 40 65 88 63 E7 01 00 00 A0 B8 67 65 E7 01 00 00 
{266} normal block at 0x000001E763885D70, 16 bytes long.
 Data: <pi c&#231;           > 70 69 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E763885D20, 16 bytes long.
 Data: <Hi c&#231;           > 48 69 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E76387F780, 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 0x000001E763886400, 16 bytes long.
 Data: < i c&#231;           > 20 69 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E763886920, 992 bytes long.
 Data: < d c&#231;    &#247;&#135;c&#231;   > 00 64 88 63 E7 01 00 00 80 F7 87 63 E7 01 00 00 
{98} normal block at 0x000001E7638801A0, 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 0x000001E76387E300, 16 bytes long.
 Data: <&#192;M c&#231;           > C0 4D 88 63 E7 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001E763884DC0, 40 bytes long.
 Data: < &#227;&#135;c&#231;   &#160;  c&#231;   > 00 E3 87 63 E7 01 00 00 A0 01 88 63 E7 01 00 00 
{75} normal block at 0x000001E76387DE50, 16 bytes long.
 Data: < &#234; Z&#247;           > 80 EA 19 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001E76387DE00, 16 bytes long.
 Data: <@&#233; Z&#247;           > 40 E9 19 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E76387E210, 16 bytes long.
 Data: <&#248;W Z&#247;           > F8 57 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E76387DA40, 16 bytes long.
 Data: <&#216;W Z&#247;           > D8 57 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E76387D950, 16 bytes long.
 Data: <P  Z&#247;           > 50 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E76387DB80, 16 bytes long.
 Data: <0  Z&#247;           > 30 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E76387E1C0, 16 bytes long.
 Data: <&#224;  Z&#247;           > E0 02 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E76387DDB0, 16 bytes long.
 Data: <   Z&#247;           > 10 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E76387DF90, 16 bytes long.
 Data: <p  Z&#247;           > 70 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E76387D770, 16 bytes long.
 Data: < &#192; Z&#247;           > 18 C0 14 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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