Task 38669307

Name test_664-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND4414_0
Workunit 31611670
Created 25 Oct 2026, 14:13:10 UTC
Sent 25 Oct 2026, 14:13:16 UTC
Report deadline 30 Oct 2026, 14:13:16 UTC
Received 25 Oct 2026, 15:05:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631621
Run time 21 min 29 sec
CPU time 21 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,915.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.21 MB
Peak swap size 11.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:43:04 (26748): wrapper (7.9.26016): starting
09:43:04 (26748): 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
09:43:05 (26748): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:43:05 (26748): 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\14\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\14\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
10:04:58 (26748): C:/Windows/system32/cmd.exe exited; CPU time 1289.484375
10:04:58 (26748): 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: 25134565 bytes.
Dumping objects ->
{3835207} normal block at 0x000001AA7578A210, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001AA75789410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001AA75789A30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x000001AA75789DB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000001AA757893A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x000001AA7758A260, 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) : {3835119} normal block at 0x000001AA7575C0A0, 8 bytes long.
 Data: <  &#214;u&#170;   > 00 00 D6 75 AA 01 00 00 
{3833961} normal block at 0x000001AA7575C5F0, 8 bytes long.
 Data: <p&#227;Cw&#170;   > 70 E3 43 77 AA 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001AA75755FE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AA7575D590, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001AA75762AD0, 16 bytes long.
 Data: < ?vu&#170;           > 88 3F 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AA75763520, 16 bytes long.
 Data: <`?vu&#170;           > 60 3F 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AA7575E660, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001AA75762B20, 16 bytes long.
 Data: <8?vu&#170;           > 38 3F 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AA757630C0, 16 bytes long.
 Data: < ?vu&#170;           > 10 3F 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AA757634D0, 16 bytes long.
 Data: <&#232;>vu&#170;           > E8 3E 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AA75763020, 16 bytes long.
 Data: <&#192;>vu&#170;           > C0 3E 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AA75761600, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001AA757632F0, 16 bytes long.
 Data: < &#184;tu&#170;           > 08 B8 74 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AA7575E360, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001AA75763480, 16 bytes long.
 Data: <&#224;&#183;tu&#170;           > E0 B7 74 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AA757633E0, 16 bytes long.
 Data: <&#184;&#183;tu&#170;           > B8 B7 74 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AA75762C60, 16 bytes long.
 Data: < &#183;tu&#170;           > 90 B7 74 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AA757632A0, 16 bytes long.
 Data: <h&#183;tu&#170;           > 68 B7 74 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AA757637A0, 16 bytes long.
 Data: <@&#183;tu&#170;           > 40 B7 74 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AA75763340, 16 bytes long.
 Data: < &#183;tu&#170;           > 18 B7 74 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AA7575E3C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001AA75762B70, 16 bytes long.
 Data: <&#240;&#182;tu&#170;           > F0 B6 74 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AA7574B6F0, 320 bytes long.
 Data: <p+vu&#170;   &#192;&#227;uu&#170;   > 70 2B 76 75 AA 01 00 00 C0 E3 75 75 AA 01 00 00 
{276} normal block at 0x000001AA75762FD0, 16 bytes long.
 Data: <&#160;>vu&#170;           > A0 3E 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AA75763250, 16 bytes long.
 Data: <x>vu&#170;           > 78 3E 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AA7575E1E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001AA75763390, 16 bytes long.
 Data: <P>vu&#170;           > 50 3E 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AA7575E9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001AA75763430, 16 bytes long.
 Data: < =vu&#170;           > 98 3D 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AA75762D00, 16 bytes long.
 Data: <p=vu&#170;           > 70 3D 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AA75762990, 16 bytes long.
 Data: <H=vu&#170;           > 48 3D 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AA75763570, 16 bytes long.
 Data: < =vu&#170;           > 20 3D 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AA75762EE0, 16 bytes long.
 Data: <&#248;<vu&#170;           > F8 3C 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AA75763070, 16 bytes long.
 Data: <&#208;<vu&#170;           > D0 3C 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AA757628F0, 16 bytes long.
 Data: <  vu&#170;           > 90 15 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AA75761590, 40 bytes long.
 Data: <&#240;(vu&#170;   `&#162;Xw&#170;   > F0 28 76 75 AA 01 00 00 60 A2 58 77 AA 01 00 00 
{262} normal block at 0x000001AA75762940, 16 bytes long.
 Data: <&#176;<vu&#170;           > B0 3C 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AA75762F30, 16 bytes long.
 Data: < <vu&#170;           > 88 3C 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AA7575E8A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001AA75762C10, 16 bytes long.
 Data: <`<vu&#170;           > 60 3C 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AA75763C60, 992 bytes long.
 Data: < ,vu&#170;   &#160;&#232;uu&#170;   > 10 2C 76 75 AA 01 00 00 A0 E8 75 75 AA 01 00 00 
{94} normal block at 0x000001AA7575E840, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001AA7575BF60, 16 bytes long.
 Data: <P vu&#170;           > 50 10 76 75 AA 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001AA75761050, 40 bytes long.
 Data: <`&#191;uu&#170;   @&#232;uu&#170;   > 60 BF 75 75 AA 01 00 00 40 E8 75 75 AA 01 00 00 
{71} normal block at 0x000001AA7575CE10, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AA7575BEC0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AA7575C8C0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AA7575BF10, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AA7575C500, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AA7575C870, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AA7575C1E0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AA7575CC80, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AA7575C5A0, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AA7575C230, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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