Task 38678379

Name test_346-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7002_0
Workunit 31620200
Created 26 Oct 2026, 17:13:30 UTC
Sent 26 Oct 2026, 17:13:33 UTC
Report deadline 31 Oct 2026, 17:13:33 UTC
Received 26 Oct 2026, 18:22:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654906
Run time 33 min 37 sec
CPU time 33 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.84 MB
Peak swap size 12.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:48:51 (5216): wrapper (7.9.26016): starting
12:48:51 (5216): 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
12:48:53 (5216): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:48:53 (5216): 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\33\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\33\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
13:21:39 (5216): C:/Windows/system32/cmd.exe exited; CPU time 1994.500000
13:21:39 (5216): 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: 32027841 bytes.
Dumping objects ->
{3835543} normal block at 0x00000163B69F3A90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x00000163B69F3860, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835521} normal block at 0x00000163B69F3400, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835510} normal block at 0x00000163B69F37F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x00000163B69F3780, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835468} normal block at 0x00000163B87EB0A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x00000163B884D5C0, 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) : {3835454} normal block at 0x00000163B69EFA30, 8 bytes long.
 Data: <  &#155;&#182;c   > 00 00 9B B6 63 01 00 00 
{3834676} normal block at 0x00000163B884D510, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x00000163B69EF9E0, 8 bytes long.
 Data: <0&#226;{&#184;c   > 30 E2 7B B8 63 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x00000163B69E5C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000163B69E6310, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x00000163B69F4640, 16 bytes long.
 Data: < @&#159;&#182;c           > 98 40 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000163B69F4DC0, 16 bytes long.
 Data: <p@&#159;&#182;c           > 70 40 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000163B69F1E50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x00000163B69F5130, 16 bytes long.
 Data: <H@&#159;&#182;c           > 48 40 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000163B69F4C30, 16 bytes long.
 Data: < @&#159;&#182;c           > 20 40 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000163B69F4FA0, 16 bytes long.
 Data: <&#248;?&#159;&#182;c           > F8 3F 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000163B69F4B40, 16 bytes long.
 Data: <&#208;?&#159;&#182;c           > D0 3F 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000163B69F36A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x00000163B69F4730, 16 bytes long.
 Data: <x&#240; &#182;c           > 78 F0 9D B6 63 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000163B69F1DF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x00000163B69F49B0, 16 bytes long.
 Data: <P&#240; &#182;c           > 50 F0 9D B6 63 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000163B69F4B90, 16 bytes long.
 Data: <(&#240; &#182;c           > 28 F0 9D B6 63 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000163B69F4C80, 16 bytes long.
 Data: < &#240; &#182;c           > 00 F0 9D B6 63 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000163B69F4F00, 16 bytes long.
 Data: <&#216;&#239; &#182;c           > D8 EF 9D B6 63 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000163B69F4AF0, 16 bytes long.
 Data: <&#176;&#239; &#182;c           > B0 EF 9D B6 63 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000163B69F4BE0, 16 bytes long.
 Data: < &#239; &#182;c           > 88 EF 9D B6 63 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000163B69F19D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x00000163B69F50E0, 16 bytes long.
 Data: <`&#239; &#182;c           > 60 EF 9D B6 63 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000163B69DEF60, 320 bytes long.
 Data: <&#224;P&#159;&#182;c   &#208; &#159;&#182;c   > E0 50 9F B6 63 01 00 00 D0 19 9F B6 63 01 00 00 
{266} normal block at 0x00000163B69F4960, 16 bytes long.
 Data: <&#176;?&#159;&#182;c           > B0 3F 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000163B69F5090, 16 bytes long.
 Data: < ?&#159;&#182;c           > 88 3F 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000163B69F14F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x00000163B69F4910, 16 bytes long.
 Data: <`?&#159;&#182;c           > 60 3F 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000163B69F1B50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x00000163B69F43C0, 16 bytes long.
 Data: <&#168;>&#159;&#182;c           > A8 3E 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000163B69F4820, 16 bytes long.
 Data: < >&#159;&#182;c           > 80 3E 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000163B69EF080, 16 bytes long.
 Data: <X>&#159;&#182;c           > 58 3E 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000163B69EF030, 16 bytes long.
 Data: <0>&#159;&#182;c           > 30 3E 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000163B69EEAE0, 16 bytes long.
 Data: < >&#159;&#182;c           > 08 3E 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000163B69EF8A0, 16 bytes long.
 Data: <&#224;=&#159;&#182;c           > E0 3D 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000163B69EF620, 16 bytes long.
 Data: <&#176;9&#159;&#182;c           > B0 39 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000163B69F39B0, 40 bytes long.
 Data: < &#246;&#158;&#182;c   &#160;&#176;~&#184;c   > 20 F6 9E B6 63 01 00 00 A0 B0 7E B8 63 01 00 00 
{252} normal block at 0x00000163B69EEFE0, 16 bytes long.
 Data: <&#192;=&#159;&#182;c           > C0 3D 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000163B69EF4E0, 16 bytes long.
 Data: < =&#159;&#182;c           > 98 3D 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000163B69F1010, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x00000163B69EEF90, 16 bytes long.
 Data: <p=&#159;&#182;c           > 70 3D 9F B6 63 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x00000163B69F3D70, 992 bytes long.
 Data: < &#239;&#158;&#182;c     &#159;&#182;c   > 90 EF 9E B6 63 01 00 00 10 10 9F B6 63 01 00 00 
{84} normal block at 0x00000163B69F1250, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x00000163B69EF530, 16 bytes long.
 Data: < &#234;&#158;&#182;c           > 10 EA 9E B6 63 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000163B69EEA10, 40 bytes long.
 Data: <0&#245;&#158;&#182;c   P &#159;&#182;c   > 30 F5 9E B6 63 01 00 00 50 12 9F B6 63 01 00 00 
{61} normal block at 0x00000163B69EEE00, 16 bytes long.
 Data: < &#234;0 &#247;           > 80 EA 30 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000163B69EEC20, 16 bytes long.
 Data: <@&#233;0 &#247;           > 40 E9 30 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000163B69EF300, 16 bytes long.
 Data: <&#248;W- &#247;           > F8 57 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000163B69EF2B0, 16 bytes long.
 Data: <&#216;W- &#247;           > D8 57 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000163B69EEB80, 16 bytes long.
 Data: <P - &#247;           > 50 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000163B69EEDB0, 16 bytes long.
 Data: <0 - &#247;           > 30 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000163B69EF170, 16 bytes long.
 Data: <&#224; - &#247;           > E0 02 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000163B69EF710, 16 bytes long.
 Data: <  - &#247;           > 10 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000163B69EF940, 16 bytes long.
 Data: <p - &#247;           > 70 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000163B69EF440, 16 bytes long.
 Data: < &#192;+ &#247;           > 18 C0 2B 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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