Task 38678688

Name test_314-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND0723_0
Workunit 31620496
Created 26 Oct 2026, 18:11:47 UTC
Sent 26 Oct 2026, 18:11:50 UTC
Report deadline 31 Oct 2026, 18:11:50 UTC
Received 26 Oct 2026, 18:56:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654906
Run time 34 min
CPU time 33 min 31 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 708.92 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>
13:22:35 (16556): wrapper (7.9.26016): starting
13:22:35 (16556): 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
13:22:36 (16556): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:22:36 (16556): 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
13:55:45 (16556): C:/Windows/system32/cmd.exe exited; CPU time 2011.921875
13:55:45 (16556): 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: 32406191 bytes.
Dumping objects ->
{3835543} normal block at 0x000001E70D173780, 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 0x000001E70D173630, 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 0x000001E70D1734E0, 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 0x000001E70D1737F0, 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 0x000001E70D173710, 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 0x000001E70EF2AC20, 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 0x000001E70EF8D1A0, 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 0x000001E70D16F350, 8 bytes long.
 Data: <  e &#231;   > 00 00 65 0D E7 01 00 00 
{3834676} normal block at 0x000001E70EF8D5C0, 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 0x000001E70D16EB30, 8 bytes long.
 Data: <0&#226;&#239; &#231;   > 30 E2 EF 0E E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001E70D165220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E70D166E50, 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 0x000001E70D174280, 16 bytes long.
 Data: < @  &#231;           > 98 40 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E70D1745F0, 16 bytes long.
 Data: <p@  &#231;           > 70 40 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E70D171A90, 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 0x000001E70D174A50, 16 bytes long.
 Data: <H@  &#231;           > 48 40 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E70D1749B0, 16 bytes long.
 Data: < @  &#231;           > 20 40 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E70D174230, 16 bytes long.
 Data: <&#248;?  &#231;           > F8 3F 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E70D174C30, 16 bytes long.
 Data: <&#208;?  &#231;           > D0 3F 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E70D173A90, 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 0x000001E70D174320, 16 bytes long.
 Data: <x&#240;  &#231;           > 78 F0 15 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E70D171550, 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 0x000001E70D175130, 16 bytes long.
 Data: <P&#240;  &#231;           > 50 F0 15 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E70D174960, 16 bytes long.
 Data: <(&#240;  &#231;           > 28 F0 15 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E70D174410, 16 bytes long.
 Data: < &#240;  &#231;           > 00 F0 15 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E70D174BE0, 16 bytes long.
 Data: <&#216;&#239;  &#231;           > D8 EF 15 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E70D174A00, 16 bytes long.
 Data: <&#176;&#239;  &#231;           > B0 EF 15 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E70D1746E0, 16 bytes long.
 Data: < &#239;  &#231;           > 88 EF 15 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E70D171A30, 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 0x000001E70D174730, 16 bytes long.
 Data: <`&#239;  &#231;           > 60 EF 15 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E70D15EF60, 320 bytes long.
 Data: <0G  &#231;   0   &#231;   > 30 47 17 0D E7 01 00 00 30 1A 17 0D E7 01 00 00 
{266} normal block at 0x000001E70D174C80, 16 bytes long.
 Data: <&#176;?  &#231;           > B0 3F 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E70D174640, 16 bytes long.
 Data: < ?  &#231;           > 88 3F 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E70D171CD0, 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 0x000001E70D174F50, 16 bytes long.
 Data: <`?  &#231;           > 60 3F 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E70D1714F0, 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 0x000001E70D1741E0, 16 bytes long.
 Data: <&#168;>  &#231;           > A8 3E 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E70D1750E0, 16 bytes long.
 Data: < >  &#231;           > 80 3E 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E70D16F1C0, 16 bytes long.
 Data: <X>  &#231;           > 58 3E 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E70D16EE00, 16 bytes long.
 Data: <0>  &#231;           > 30 3E 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E70D16F6C0, 16 bytes long.
 Data: < >  &#231;           > 08 3E 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E70D16F300, 16 bytes long.
 Data: <&#224;=  &#231;           > E0 3D 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001E70D16EDB0, 16 bytes long.
 Data: <`8  &#231;           > 60 38 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001E70D173860, 40 bytes long.
 Data: <&#176;&#237;  &#231;    &#172;&#242; &#231;   > B0 ED 16 0D E7 01 00 00 20 AC F2 0E E7 01 00 00 
{252} normal block at 0x000001E70D16F120, 16 bytes long.
 Data: <&#192;=  &#231;           > C0 3D 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001E70D16F7B0, 16 bytes long.
 Data: < =  &#231;           > 98 3D 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001E70D171310, 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 0x000001E70D16ED60, 16 bytes long.
 Data: <p=  &#231;           > 70 3D 17 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000001E70D173D70, 992 bytes long.
 Data: <`&#237;  &#231;       &#231;   > 60 ED 16 0D E7 01 00 00 10 13 17 0D E7 01 00 00 
{84} normal block at 0x000001E70D171490, 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 0x000001E70D16EEF0, 16 bytes long.
 Data: < &#234;  &#231;           > 10 EA 16 0D E7 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001E70D16EA10, 40 bytes long.
 Data: <&#240;&#238;  &#231;       &#231;   > F0 EE 16 0D E7 01 00 00 90 14 17 0D E7 01 00 00 
{61} normal block at 0x000001E70D16EB80, 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 0x000001E70D16F210, 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 0x000001E70D16F5D0, 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 0x000001E70D16EE50, 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 0x000001E70D16F620, 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 0x000001E70D16EAE0, 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 0x000001E70D16ED10, 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 0x000001E70D16F3A0, 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 0x000001E70D16F850, 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 0x000001E70D16F030, 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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