Task 38681511

Name test_935-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7201_0
Workunit 31623175
Created 27 Oct 2026, 4:17:28 UTC
Sent 27 Oct 2026, 4:17:42 UTC
Report deadline 1 Nov 2026, 4:17:42 UTC
Received 27 Oct 2026, 5:55:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652159
Run time 43 min 37 sec
CPU time 40 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 53,456.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 683.96 MB
Peak swap size 7.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:13:25 (29164): wrapper (7.9.26016): starting
08:13:25 (29164): 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
08:13:27 (29164): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:13:27 (29164): 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\4\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\4\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
08:55:01 (29164): C:/Windows/system32/cmd.exe exited; CPU time 2455.328125
08:55:01 (29164): 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: 43453755 bytes.
Dumping objects ->
{3835636} normal block at 0x000001F7108BA0F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835625} normal block at 0x000001F70EAB64E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835614} normal block at 0x000001F70EAB6400, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835603} normal block at 0x000001F70EAB62B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835592} normal block at 0x000001F70EAB6240, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835561} normal block at 0x000001F7108C9790, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x000001F7108DF8A0, 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) : {3835547} normal block at 0x000001F70EAAEB40, 8 bytes long.
 Data: <  &#250; &#247;   > 00 00 FA 0E F7 01 00 00 
{3834732} normal block at 0x000001F7108DF7F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001F70EAAE3C0, 8 bytes long.
 Data: <&#160;U&#146; &#247;   > A0 55 92 10 F7 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F70EAB2C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F70EAA74D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001F70EAB68D0, 16 bytes long.
 Data: <&#184;{&#171; &#247;           > B8 7B AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F70EAB7730, 16 bytes long.
 Data: < {&#171; &#247;           > 90 7B AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F70EAAFED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001F70EAB6A10, 16 bytes long.
 Data: <h{&#171; &#247;           > 68 7B AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F70EAB6D30, 16 bytes long.
 Data: <@{&#171; &#247;           > 40 7B AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F70EAB75F0, 16 bytes long.
 Data: < {&#171; &#247;           > 18 7B AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F70EAB6CE0, 16 bytes long.
 Data: <&#240;z&#171; &#247;           > F0 7A AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F70EAB6320, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001F70EAB7820, 16 bytes long.
 Data: <h&#248;&#170; &#247;           > 68 F8 AA 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F70EAB0D10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001F70EAB76E0, 16 bytes long.
 Data: <@&#248;&#170; &#247;           > 40 F8 AA 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F70EAB70F0, 16 bytes long.
 Data: < &#248;&#170; &#247;           > 18 F8 AA 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F70EAB6DD0, 16 bytes long.
 Data: <&#240;&#247;&#170; &#247;           > F0 F7 AA 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F70EAB69C0, 16 bytes long.
 Data: <&#200;&#247;&#170; &#247;           > C8 F7 AA 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F70EAB7190, 16 bytes long.
 Data: <&#160;&#247;&#170; &#247;           > A0 F7 AA 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F70EAB75A0, 16 bytes long.
 Data: <x&#247;&#170; &#247;           > 78 F7 AA 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F70EAB07D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001F70EAB7000, 16 bytes long.
 Data: <P&#247;&#170; &#247;           > 50 F7 AA 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F70EAAF750, 320 bytes long.
 Data: < p&#171; &#247;   &#208; &#171; &#247;   > 00 70 AB 0E F7 01 00 00 D0 07 AB 0E F7 01 00 00 
{275} normal block at 0x000001F70EAB6D80, 16 bytes long.
 Data: <&#208;z&#171; &#247;           > D0 7A AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F70EAB7550, 16 bytes long.
 Data: <&#168;z&#171; &#247;           > A8 7A AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F70EAB0770, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001F70EAB6B50, 16 bytes long.
 Data: < z&#171; &#247;           > 80 7A AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F70EAB0B30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001F70EAB7690, 16 bytes long.
 Data: <&#200;y&#171; &#247;           > C8 79 AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F70EAB74B0, 16 bytes long.
 Data: <&#160;y&#171; &#247;           > A0 79 AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F70EAB72D0, 16 bytes long.
 Data: <xy&#171; &#247;           > 78 79 AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F70EAB7280, 16 bytes long.
 Data: <Py&#171; &#247;           > 50 79 AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F70EAB7640, 16 bytes long.
 Data: <(y&#171; &#247;           > 28 79 AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F70EAB77D0, 16 bytes long.
 Data: < y&#171; &#247;           > 00 79 AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F70EAB7500, 16 bytes long.
 Data: <&#192;^&#171; &#247;           > C0 5E AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F70EAB5EC0, 40 bytes long.
 Data: < u&#171; &#247;    &#151;&#140; &#247;   > 00 75 AB 0E F7 01 00 00 90 97 8C 10 F7 01 00 00 
{261} normal block at 0x000001F70EAB6BF0, 16 bytes long.
 Data: <&#224;x&#171; &#247;           > E0 78 AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F70EAB7780, 16 bytes long.
 Data: <&#184;x&#171; &#247;           > B8 78 AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F70EAB0D70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001F70EAB6F60, 16 bytes long.
 Data: < x&#171; &#247;           > 90 78 AB 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F70EAB7890, 992 bytes long.
 Data: <`o&#171; &#247;   p &#171; &#247;   > 60 6F AB 0E F7 01 00 00 70 0D AB 0E F7 01 00 00 
{93} normal block at 0x000001F70EAB06B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001F70EAAE4B0, 16 bytes long.
 Data: <0&#196;&#169; &#247;           > 30 C4 A9 0E F7 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001F70EA9C430, 40 bytes long.
 Data: <&#176;&#228;&#170; &#247;   &#176; &#171; &#247;   > B0 E4 AA 0E F7 01 00 00 B0 06 AB 0E F7 01 00 00 
{70} normal block at 0x000001F70EAAEA00, 16 bytes long.
 Data: < &#234;/c&#246;           > 80 EA 2F 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F70EAADFB0, 16 bytes long.
 Data: <@&#233;/c&#246;           > 40 E9 2F 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F70EAAE370, 16 bytes long.
 Data: <&#248;W,c&#246;           > F8 57 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F70EAAED70, 16 bytes long.
 Data: <&#216;W,c&#246;           > D8 57 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F70EAAE910, 16 bytes long.
 Data: <P ,c&#246;           > 50 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F70EAAEE10, 16 bytes long.
 Data: <0 ,c&#246;           > 30 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F70EAAE500, 16 bytes long.
 Data: <&#224; ,c&#246;           > E0 02 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F70EAAED20, 16 bytes long.
 Data: <  ,c&#246;           > 10 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F70EAADF10, 16 bytes long.
 Data: <p ,c&#246;           > 70 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F70EAAE140, 16 bytes long.
 Data: < &#192;*c&#246;           > 18 C0 2A 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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