Task 38669301

Name test_298-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND8529_0
Workunit 31611665
Created 25 Oct 2026, 14:12:35 UTC
Sent 25 Oct 2026, 14:12:46 UTC
Report deadline 30 Oct 2026, 14:12:46 UTC
Received 25 Oct 2026, 15:17:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 635377
Run time 1 hours 4 min 14 sec
CPU time 59 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.11 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:15:29 (19424): wrapper (7.9.26016): starting
15:15:29 (19424): 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
15:15:33 (19424): Library/usr/bin/tar.exe exited; CPU time 0.031250
15:15:33 (19424): 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\10\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\10\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
16:17:05 (19424): C:/Windows/system32/cmd.exe exited; CPU time 3593.593750
16:17:05 (19424): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 54503897 bytes.
Dumping objects ->
{3835638} normal block at 0x0000019335CFF120, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x0000019335CFF740, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x0000019335CFFD60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x0000019335CFF3C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x00000193340B74F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x0000019335D497B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x00000193340ABD10, 200 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) : {3835549} normal block at 0x00000193340ADA90, 8 bytes long.
 Data: <  h4&#147;   > 00 00 68 34 93 01 00 00 
{3834745} normal block at 0x00000193340AC260, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x00000193340ADD10, 8 bytes long.
 Data: <&#240;j&#221;5&#147;   > F0 6A DD 35 93 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000193340B1900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000193340A66F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000193340B8B70, 16 bytes long.
 Data: <H  4&#147;           > 48 90 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000193340B8B20, 16 bytes long.
 Data: <   4&#147;           > 20 90 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000193340AFDF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000193340B7E00, 16 bytes long.
 Data: <&#248;&#143; 4&#147;           > F8 8F 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000193340B8440, 16 bytes long.
 Data: <&#208;&#143; 4&#147;           > D0 8F 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000193340B7F90, 16 bytes long.
 Data: <&#168;&#143; 4&#147;           > A8 8F 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000193340B7F40, 16 bytes long.
 Data: < &#143; 4&#147;           > 80 8F 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000193340B78E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000193340B84E0, 16 bytes long.
 Data: <x&#149; 4&#147;           > 78 95 0A 34 93 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000193340AF7F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000193340B8C60, 16 bytes long.
 Data: <P&#149; 4&#147;           > 50 95 0A 34 93 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000193340B8710, 16 bytes long.
 Data: <(&#149; 4&#147;           > 28 95 0A 34 93 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000193340B86C0, 16 bytes long.
 Data: < &#149; 4&#147;           > 00 95 0A 34 93 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000193340B8C10, 16 bytes long.
 Data: <&#216;&#148; 4&#147;           > D8 94 0A 34 93 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000193340B83A0, 16 bytes long.
 Data: <&#176;&#148; 4&#147;           > B0 94 0A 34 93 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000193340B8210, 16 bytes long.
 Data: < &#148; 4&#147;           > 88 94 0A 34 93 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000193340AF910, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000193340B8620, 16 bytes long.
 Data: <`&#148; 4&#147;           > 60 94 0A 34 93 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000193340A9460, 320 bytes long.
 Data: < &#134; 4&#147;    &#249; 4&#147;   > 20 86 0B 34 93 01 00 00 10 F9 0A 34 93 01 00 00 
{279} normal block at 0x00000193340B8300, 16 bytes long.
 Data: <`&#143; 4&#147;           > 60 8F 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000193340B8490, 16 bytes long.
 Data: <8&#143; 4&#147;           > 38 8F 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000193340B0390, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000193340B8350, 16 bytes long.
 Data: < &#143; 4&#147;           > 10 8F 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000193340B01B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000193340B85D0, 16 bytes long.
 Data: <X&#142; 4&#147;           > 58 8E 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000193340B80D0, 16 bytes long.
 Data: <0&#142; 4&#147;           > 30 8E 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000193340B8850, 16 bytes long.
 Data: < &#142; 4&#147;           > 08 8E 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000193340B8080, 16 bytes long.
 Data: <&#224;&#141; 4&#147;           > E0 8D 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000193340B82B0, 16 bytes long.
 Data: <&#184;&#141; 4&#147;           > B8 8D 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000193340B8A80, 16 bytes long.
 Data: < &#141; 4&#147;           > 90 8D 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000193340B8580, 16 bytes long.
 Data: < x 4&#147;           > 00 78 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000193340B7800, 40 bytes long.
 Data: < &#133; 4&#147;   &#176;&#151;&#212;5&#147;   > 80 85 0B 34 93 01 00 00 B0 97 D4 35 93 01 00 00 
{265} normal block at 0x00000193340B89E0, 16 bytes long.
 Data: <p&#141; 4&#147;           > 70 8D 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000193340B8AD0, 16 bytes long.
 Data: <H&#141; 4&#147;           > 48 8D 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000193340AF5B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000193340B7E50, 16 bytes long.
 Data: < &#141; 4&#147;           > 20 8D 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000193340B8D20, 992 bytes long.
 Data: <P~ 4&#147;   &#176;&#245; 4&#147;   > 50 7E 0B 34 93 01 00 00 B0 F5 0A 34 93 01 00 00 
{97} normal block at 0x00000193340AF8B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000193340AE120, 16 bytes long.
 Data: < w 4&#147;           > 90 77 0B 34 93 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000193340B7790, 40 bytes long.
 Data: < &#225; 4&#147;   &#176;&#248; 4&#147;   > 20 E1 0A 34 93 01 00 00 B0 F8 0A 34 93 01 00 00 
{74} normal block at 0x00000193340ADDB0, 16 bytes long.
 Data: < &#234;&#194;<&#247;           > 80 EA C2 3C F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000193340ADD60, 16 bytes long.
 Data: <@&#233;&#194;<&#247;           > 40 E9 C2 3C F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000193340ADAE0, 16 bytes long.
 Data: <&#248;W&#191;<&#247;           > F8 57 BF 3C F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000193340AE350, 16 bytes long.
 Data: <&#216;W&#191;<&#247;           > D8 57 BF 3C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000193340ADE50, 16 bytes long.
 Data: <P &#191;<&#247;           > 50 04 BF 3C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000193340ADB80, 16 bytes long.
 Data: <0 &#191;<&#247;           > 30 04 BF 3C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000193340AE1C0, 16 bytes long.
 Data: <&#224; &#191;<&#247;           > E0 02 BF 3C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000193340AE170, 16 bytes long.
 Data: <  &#191;<&#247;           > 10 04 BF 3C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000193340ADEF0, 16 bytes long.
 Data: <p &#191;<&#247;           > 70 04 BF 3C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000193340AD770, 16 bytes long.
 Data: < &#192; <&#247;           > 18 C0 BD 3C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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