Task 38698981

Name test_11-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND4195_0
Workunit 31639438
Created 3 Nov 2026, 9:12:38 UTC
Sent 3 Nov 2026, 9:12:46 UTC
Report deadline 8 Nov 2026, 9:12:46 UTC
Received 3 Nov 2026, 11:03:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644027
Run time 33 min 59 sec
CPU time 33 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.57 MB
Peak swap size 9.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:29:41 (48488): wrapper (7.9.26016): starting
02:29:41 (48488): 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
02:29:42 (48488): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:29:42 (48488): 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
03:02:59 (48488): C:/Windows/system32/cmd.exe exited; CPU time 1998.937500
03:02:59 (48488): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 38967949 bytes.
Dumping objects ->
{3835556} normal block at 0x0000020B2D6585B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835545} normal block at 0x0000020B2B884950, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835534} normal block at 0x0000020B2B884870, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835523} normal block at 0x0000020B2B884790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835512} normal block at 0x0000020B2B884640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835481} normal block at 0x0000020B2D66ABF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835468} normal block at 0x0000020B2B87EAD0, 8 bytes long.
 Data: <  &#132;+    > 00 00 84 2B 0B 02 00 00 
{3833957} normal block at 0x0000020B2B87F390, 8 bytes long.
 Data: <&#208;Fl-    > D0 46 6C 2D 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020B2B881400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020B2B876790, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000020B2B885B70, 16 bytes long.
 Data: <Xd +            > 58 64 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020B2B885EE0, 16 bytes long.
 Data: <0d +            > 30 64 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020B2B8803B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000020B2B885300, 16 bytes long.
 Data: < d +            > 08 64 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020B2B885940, 16 bytes long.
 Data: <&#224;c +            > E0 63 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B2B885760, 16 bytes long.
 Data: <&#184;c +            > B8 63 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020B2B885210, 16 bytes long.
 Data: < c +            > 90 63 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020B2B8849C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000020B2B885DA0, 16 bytes long.
 Data: < &#239;&#134;+            > 08 EF 86 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020B2B87FA50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000020B2B885490, 16 bytes long.
 Data: <&#224;&#238;&#134;+            > E0 EE 86 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B2B885CB0, 16 bytes long.
 Data: <&#184;&#238;&#134;+            > B8 EE 86 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B2B8860C0, 16 bytes long.
 Data: < &#238;&#134;+            > 90 EE 86 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020B2B885D00, 16 bytes long.
 Data: <h&#238;&#134;+            > 68 EE 86 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B2B885350, 16 bytes long.
 Data: <@&#238;&#134;+            > 40 EE 86 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B2B885670, 16 bytes long.
 Data: < &#238;&#134;+            > 18 EE 86 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020B2B880410, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000020B2B8858F0, 16 bytes long.
 Data: <&#240;&#237;&#134;+            > F0 ED 86 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020B2B86EDF0, 320 bytes long.
 Data: <&#240;X +       +    > F0 58 88 2B 0B 02 00 00 10 04 88 2B 0B 02 00 00 
{274} normal block at 0x0000020B2B885D50, 16 bytes long.
 Data: <pc +            > 70 63 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020B2B8856C0, 16 bytes long.
 Data: <Hc +            > 48 63 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020B2B880050, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000020B2B886070, 16 bytes long.
 Data: < c +            > 20 63 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020B2B87F8D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000020B2B885620, 16 bytes long.
 Data: <hb +            > 68 62 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020B2B885E90, 16 bytes long.
 Data: <@b +            > 40 62 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B2B885990, 16 bytes long.
 Data: < b +            > 18 62 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B2B885BC0, 16 bytes long.
 Data: <&#240;a +            > F0 61 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020B2B8855D0, 16 bytes long.
 Data: <&#200;a +            > C8 61 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020B2B8852B0, 16 bytes long.
 Data: <&#160;a +            > A0 61 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020B2B885530, 16 bytes long.
 Data: < K +            > 10 4B 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020B2B884B10, 40 bytes long.
 Data: <0U +    &#240;&#171;f-    > 30 55 88 2B 0B 02 00 00 F0 AB 66 2D 0B 02 00 00 
{260} normal block at 0x0000020B2B8853A0, 16 bytes long.
 Data: < a +            > 80 61 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020B2B8853F0, 16 bytes long.
 Data: <Xa +            > 58 61 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020B2B880170, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000020B2B885B20, 16 bytes long.
 Data: <0a +            > 30 61 88 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020B2B886130, 992 bytes long.
 Data: < [ +    p  +    > 20 5B 88 2B 0B 02 00 00 70 01 88 2B 0B 02 00 00 
{92} normal block at 0x0000020B2B87F6F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000020B2B87E9E0, 16 bytes long.
 Data: < &#237;&#134;+            > 80 ED 86 2B 0B 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000020B2B86ED80, 40 bytes long.
 Data: <&#224;&#233;&#135;+    &#240;&#246;&#135;+    > E0 E9 87 2B 0B 02 00 00 F0 F6 87 2B 0B 02 00 00 
{69} normal block at 0x0000020B2B87E7B0, 16 bytes long.
 Data: < &#234;&#148;r&#247;           > 80 EA 94 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020B2B87EB20, 16 bytes long.
 Data: <@&#233;&#148;r&#247;           > 40 E9 94 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020B2B87E6C0, 16 bytes long.
 Data: <&#248;W&#145;r&#247;           > F8 57 91 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020B2B87EA30, 16 bytes long.
 Data: <&#216;W&#145;r&#247;           > D8 57 91 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B2B87EA80, 16 bytes long.
 Data: <P &#145;r&#247;           > 50 04 91 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B2B87F0C0, 16 bytes long.
 Data: <0 &#145;r&#247;           > 30 04 91 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B2B87EFD0, 16 bytes long.
 Data: <&#224; &#145;r&#247;           > E0 02 91 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B2B87E850, 16 bytes long.
 Data: <  &#145;r&#247;           > 10 04 91 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020B2B87F4D0, 16 bytes long.
 Data: <p &#145;r&#247;           > 70 04 91 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020B2B87E670, 16 bytes long.
 Data: < &#192; r&#247;           > 18 C0 8F 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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