Task 38684696

Name test_667-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND0704_0
Workunit 31626203
Created 27 Oct 2026, 17:35:02 UTC
Sent 27 Oct 2026, 17:35:06 UTC
Report deadline 1 Nov 2026, 17:35:06 UTC
Received 27 Oct 2026, 21:37:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 38 min 14 sec
CPU time 33 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.02 MB
Peak swap size 3.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:48:11 (11436): wrapper (7.9.26016): starting
18:48:11 (11436): 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
18:48:14 (11436): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:48:14 (11436): 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 'E:\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 'E:\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
19:23:56 (11436): C:/Windows/system32/cmd.exe exited; CPU time 2033.890625
19:23:56 (11436): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 37764557 bytes.
Dumping objects ->
{3835197} normal block at 0x0000011F762DF2F0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x0000011F77FE4FC0, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x0000011F77FE5080, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x0000011F77FE4540, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x0000011F77FE4D20, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x0000011F762DF9F0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x0000011F762D8D30, 8 bytes long.
 Data: <  &#203;w    > 00 00 CB 77 1F 01 00 00 
{3833953} normal block at 0x0000011F762D9460, 8 bytes long.
 Data: <0&#234;;v    > 30 EA 3B 76 1F 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000011F762E28A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000011F762CD9D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000011F762E4470, 16 bytes long.
 Data: < I.v            > 98 49 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000011F762E4380, 16 bytes long.
 Data: <pI.v            > 70 49 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000011F762DE100, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000011F762E4420, 16 bytes long.
 Data: <HI.v            > 48 49 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000011F762E3BB0, 16 bytes long.
 Data: < I.v            > 20 49 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000011F762E3E30, 16 bytes long.
 Data: <&#248;H.v            > F8 48 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000011F762E43D0, 16 bytes long.
 Data: <&#208;H.v            > D0 48 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000011F762DF360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000011F762E42E0, 16 bytes long.
 Data: <&#216;`,v            > D8 60 2C 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000011F762DE0A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000011F762E4290, 16 bytes long.
 Data: <&#176;`,v            > B0 60 2C 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000011F762E4060, 16 bytes long.
 Data: < `,v            > 88 60 2C 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000011F762E4010, 16 bytes long.
 Data: <``,v            > 60 60 2C 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000011F762E3980, 16 bytes long.
 Data: <8`,v            > 38 60 2C 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000011F762E3890, 16 bytes long.
 Data: < `,v            > 10 60 2C 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000011F762E3CF0, 16 bytes long.
 Data: <&#232;_,v            > E8 5F 2C 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000011F762DD740, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000011F762E3840, 16 bytes long.
 Data: <&#192;_,v            > C0 5F 2C 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000011F762C5FC0, 320 bytes long.
 Data: <@8.v    @&#215;-v    > 40 38 2E 76 1F 01 00 00 40 D7 2D 76 1F 01 00 00 
{272} normal block at 0x0000011F762E3B60, 16 bytes long.
 Data: <&#176;H.v            > B0 48 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000011F762E3B10, 16 bytes long.
 Data: < H.v            > 88 48 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000011F762DD260, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000011F762E3CA0, 16 bytes long.
 Data: <`H.v            > 60 48 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000011F762DDE00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000011F762E4240, 16 bytes long.
 Data: <&#168;G.v            > A8 47 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000011F762E4330, 16 bytes long.
 Data: < G.v            > 80 47 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000011F762E45B0, 16 bytes long.
 Data: <XG.v            > 58 47 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000011F762E3FC0, 16 bytes long.
 Data: <0G.v            > 30 47 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000011F762E3F70, 16 bytes long.
 Data: < G.v            > 08 47 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000011F762E4100, 16 bytes long.
 Data: <&#224;F.v            > E0 46 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000011F762E3930, 16 bytes long.
 Data: <P&#247;-v            > 50 F7 2D 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000011F762DF750, 40 bytes long.
 Data: <09.v    &#240;&#249;-v    > 30 39 2E 76 1F 01 00 00 F0 F9 2D 76 1F 01 00 00 
{258} normal block at 0x0000011F762E38E0, 16 bytes long.
 Data: <&#192;F.v            > C0 46 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000011F762E3AC0, 16 bytes long.
 Data: < F.v            > 98 46 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000011F762DDF20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000011F762E41F0, 16 bytes long.
 Data: <pF.v            > 70 46 2E 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000011F762E4670, 992 bytes long.
 Data: <&#240;A.v     &#223;-v    > F0 41 2E 76 1F 01 00 00 20 DF 2D 76 1F 01 00 00 
{90} normal block at 0x0000011F762DD680, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000011F762D8BA0, 16 bytes long.
 Data: < &#245;-v            > 20 F5 2D 76 1F 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000011F762DF520, 40 bytes long.
 Data: <&#160;&#139;-v     &#214;-v    > A0 8B 2D 76 1F 01 00 00 80 D6 2D 76 1F 01 00 00 
{67} normal block at 0x0000011F762D8D80, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000011F762D9280, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000011F762D9320, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000011F762D8B00, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000011F762D8FB0, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000011F762D88D0, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000011F762D8AB0, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000011F762D90A0, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000011F762D87E0, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000011F762D9000, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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