Task 38677017

Name test_189-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5899_0
Workunit 31618904
Created 26 Oct 2026, 13:00:31 UTC
Sent 26 Oct 2026, 13:00:34 UTC
Report deadline 31 Oct 2026, 13:00:34 UTC
Received 26 Oct 2026, 13:50:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549940
Run time 48 min 1 sec
CPU time 46 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 671.49 MB
Peak swap size 5.26 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:03:47 (8592): wrapper (7.9.26016): starting
06:03:47 (8592): 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
06:03:49 (8592): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:03:49 (8592): 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:\ProgramData\Boinc\slots\0\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:\ProgramData\Boinc\slots\0\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
06:50:05 (8592): C:/Windows/system32/cmd.exe exited; CPU time 2790.781250
06:50:05 (8592): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32417895 bytes.
Dumping objects ->
{3835223} normal block at 0x000001EF14761070, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001EF14761690, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001EF14761230, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x000001EF147611C0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000001EF14761620, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000001EF16304E90, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000001EF16363C20, 160 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) : {3835134} normal block at 0x000001EF14756E50, 8 bytes long.
 Data: <  q &#239;   > 00 00 71 14 EF 01 00 00 
{3834539} normal block at 0x000001EF16363B40, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001EF147566D0, 8 bytes long.
 Data: <` 6 &#239;   > 60 02 36 16 EF 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001EF1475C600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EF14745C30, 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 0x000001EF14762370, 16 bytes long.
 Data: <x;v &#239;           > 78 3B 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EF147621E0, 16 bytes long.
 Data: <P;v &#239;           > 50 3B 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EF1475D9C0, 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 0x000001EF14761BA0, 16 bytes long.
 Data: <(;v &#239;           > 28 3B 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EF14762730, 16 bytes long.
 Data: < ;v &#239;           > 00 3B 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EF14762190, 16 bytes long.
 Data: <&#216;:v &#239;           > D8 3A 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EF14762050, 16 bytes long.
 Data: <&#176;:v &#239;           > B0 3A 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EF147612A0, 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 0x000001EF14762320, 16 bytes long.
 Data: <(&#177;t &#239;           > 28 B1 74 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EF1475D6C0, 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 0x000001EF14762640, 16 bytes long.
 Data: < &#177;t &#239;           > 00 B1 74 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EF14762550, 16 bytes long.
 Data: <&#216;&#176;t &#239;           > D8 B0 74 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EF14761B50, 16 bytes long.
 Data: <&#176;&#176;t &#239;           > B0 B0 74 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EF14761EC0, 16 bytes long.
 Data: < &#176;t &#239;           > 88 B0 74 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EF14761E70, 16 bytes long.
 Data: <`&#176;t &#239;           > 60 B0 74 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EF14762000, 16 bytes long.
 Data: <8&#176;t &#239;           > 38 B0 74 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EF1475CF40, 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 0x000001EF14761D30, 16 bytes long.
 Data: < &#176;t &#239;           > 10 B0 74 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EF1474B010, 320 bytes long.
 Data: <0 v &#239;   @&#207;u &#239;   > 30 1D 76 14 EF 01 00 00 40 CF 75 14 EF 01 00 00 
{272} normal block at 0x000001EF14761B00, 16 bytes long.
 Data: < :v &#239;           > 90 3A 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EF14761DD0, 16 bytes long.
 Data: <h:v &#239;           > 68 3A 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EF1475CC40, 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 0x000001EF14761970, 16 bytes long.
 Data: <@:v &#239;           > 40 3A 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EF1475D660, 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 0x000001EF14761920, 16 bytes long.
 Data: < 9v &#239;           > 88 39 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EF14762280, 16 bytes long.
 Data: <`9v &#239;           > 60 39 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EF147625A0, 16 bytes long.
 Data: <89v &#239;           > 38 39 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EF147620A0, 16 bytes long.
 Data: < 9v &#239;           > 10 39 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EF14761AB0, 16 bytes long.
 Data: <&#232;8v &#239;           > E8 38 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EF147624B0, 16 bytes long.
 Data: <&#192;8v &#239;           > C0 38 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EF14761A10, 16 bytes long.
 Data: <p v &#239;           > 70 17 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EF14761770, 40 bytes long.
 Data: <  v &#239;    N0 &#239;   > 10 1A 76 14 EF 01 00 00 90 4E 30 16 EF 01 00 00 
{258} normal block at 0x000001EF14762500, 16 bytes long.
 Data: <&#160;8v &#239;           > A0 38 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EF147622D0, 16 bytes long.
 Data: <x8v &#239;           > 78 38 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EF1475CB20, 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 0x000001EF14761E20, 16 bytes long.
 Data: <P8v &#239;           > 50 38 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001EF14763850, 992 bytes long.
 Data: <  v &#239;    &#203;u &#239;   > 20 1E 76 14 EF 01 00 00 20 CB 75 14 EF 01 00 00 
{90} normal block at 0x000001EF1475D120, 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 0x000001EF14757350, 16 bytes long.
 Data: <@ v &#239;           > 40 15 76 14 EF 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001EF14761540, 40 bytes long.
 Data: <Psu &#239;    &#209;u &#239;   > 50 73 75 14 EF 01 00 00 20 D1 75 14 EF 01 00 00 
{67} normal block at 0x000001EF14756770, 16 bytes long.
 Data: < &#234; P&#246;           > 80 EA 8D 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EF147564F0, 16 bytes long.
 Data: <@&#233; P&#246;           > 40 E9 8D 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EF14756630, 16 bytes long.
 Data: <&#248;W&#138;P&#246;           > F8 57 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EF14756B30, 16 bytes long.
 Data: <&#216;W&#138;P&#246;           > D8 57 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EF147565E0, 16 bytes long.
 Data: <P &#138;P&#246;           > 50 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EF14756F90, 16 bytes long.
 Data: <0 &#138;P&#246;           > 30 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EF14756D10, 16 bytes long.
 Data: <&#224; &#138;P&#246;           > E0 02 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EF14756DB0, 16 bytes long.
 Data: <  &#138;P&#246;           > 10 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EF147573F0, 16 bytes long.
 Data: <p &#138;P&#246;           > 70 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EF14756EF0, 16 bytes long.
 Data: < &#192; P&#246;           > 18 C0 88 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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