Task 38656550

Name test_277-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND9536_0
Workunit 31600268
Created 24 Oct 2026, 10:45:11 UTC
Sent 24 Oct 2026, 10:46:31 UTC
Report deadline 29 Oct 2026, 10:46:31 UTC
Received 24 Oct 2026, 13:01:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 441672
Run time 1 hours 14 min 40 sec
CPU time 1 hours 13 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.18 MB
Peak swap size 6.71 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:46:58 (5764): wrapper (7.9.26016): starting
04:46:58 (5764): 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
04:46:59 (5764): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:46:59 (5764): 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\18\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\18\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
06:00:50 (5764): C:/Windows/system32/cmd.exe exited; CPU time 4383.343750
06:00:50 (5764): called boinc_finish(0)
0 bytes in 0 Free Blocks.
646 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: 77992075 bytes.
Dumping objects ->
{3835633} normal block at 0x000002136EAD5F50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835622} normal block at 0x000002136EAD5CB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835611} normal block at 0x000002136EAD5FC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835600} normal block at 0x000002136CE45D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x000002136CE45A70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835558} normal block at 0x000002136EA75830, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000002136EA89110, 195 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) : {3835544} normal block at 0x000002136CE3EAA0, 8 bytes long.
 Data: <   m    > 00 00 20 6D 13 02 00 00 
{3834742} normal block at 0x000002136EA89A10, 195 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000002136CE3EC80, 8 bytes long.
 Data: <P&#233;&#168;n    > 50 E9 A8 6E 13 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002136CE42500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002136CE36CF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002136CE472A0, 16 bytes long.
 Data: < x&#228;l            > 18 78 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002136CE46D50, 16 bytes long.
 Data: <&#240;w&#228;l            > F0 77 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002136CE40770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002136CE46CB0, 16 bytes long.
 Data: <&#200;w&#228;l            > C8 77 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002136CE46B70, 16 bytes long.
 Data: <&#160;w&#228;l            > A0 77 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002136CE46C60, 16 bytes long.
 Data: <xw&#228;l            > 78 77 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002136CE46BC0, 16 bytes long.
 Data: <Pw&#228;l            > 50 77 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002136CE45ED0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002136CE47070, 16 bytes long.
 Data: <x &#228;l            > 78 01 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002136CE40350, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002136CE46800, 16 bytes long.
 Data: <P &#228;l            > 50 01 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002136CE47480, 16 bytes long.
 Data: <( &#228;l            > 28 01 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002136CE46530, 16 bytes long.
 Data: <  &#228;l            > 00 01 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002136CE47430, 16 bytes long.
 Data: <&#216; &#228;l            > D8 00 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002136CE46C10, 16 bytes long.
 Data: <&#176; &#228;l            > B0 00 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002136CE466C0, 16 bytes long.
 Data: <  &#228;l            > 88 00 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002136CE408F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002136CE46AD0, 16 bytes long.
 Data: <` &#228;l            > 60 00 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002136CE40060, 320 bytes long.
 Data: <&#208;j&#228;l    &#240; &#228;l    > D0 6A E4 6C 13 02 00 00 F0 08 E4 6C 13 02 00 00 
{279} normal block at 0x000002136CE46670, 16 bytes long.
 Data: <0w&#228;l            > 30 77 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002136CE46760, 16 bytes long.
 Data: < w&#228;l            > 08 77 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002136CE40C50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002136CE473E0, 16 bytes long.
 Data: <&#224;v&#228;l            > E0 76 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002136CE41130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002136CE46B20, 16 bytes long.
 Data: <(v&#228;l            > 28 76 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002136CE46A30, 16 bytes long.
 Data: < v&#228;l            > 00 76 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002136CE46990, 16 bytes long.
 Data: <&#216;u&#228;l            > D8 75 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002136CE47340, 16 bytes long.
 Data: <&#176;u&#228;l            > B0 75 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002136CE46E90, 16 bytes long.
 Data: < u&#228;l            > 88 75 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002136CE47390, 16 bytes long.
 Data: <`u&#228;l            > 60 75 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002136CE47250, 16 bytes long.
 Data: <P[&#228;l            > 50 5B E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002136CE45B50, 40 bytes long.
 Data: <Pr&#228;l    0X&#167;n    > 50 72 E4 6C 13 02 00 00 30 58 A7 6E 13 02 00 00 
{265} normal block at 0x000002136CE467B0, 16 bytes long.
 Data: <@u&#228;l            > 40 75 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002136CE469E0, 16 bytes long.
 Data: < u&#228;l            > 18 75 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002136CE40290, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002136CE46940, 16 bytes long.
 Data: <&#240;t&#228;l            > F0 74 E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002136CE474F0, 992 bytes long.
 Data: <@i&#228;l      &#228;l    > 40 69 E4 6C 13 02 00 00 90 02 E4 6C 13 02 00 00 
{97} normal block at 0x000002136CE407D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002136CE3E5A0, 16 bytes long.
 Data: <&#176;_&#228;l            > B0 5F E4 6C 13 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002136CE45FB0, 40 bytes long.
 Data: <&#160;&#229;&#227;l    &#208; &#228;l    > A0 E5 E3 6C 13 02 00 00 D0 07 E4 6C 13 02 00 00 
{74} normal block at 0x000002136CE3E500, 16 bytes long.
 Data: < &#234;B &#247;           > 80 EA 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002136CE3E0F0, 16 bytes long.
 Data: <@&#233;B &#247;           > 40 E9 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002136CE3E190, 16 bytes long.
 Data: <&#248;W? &#247;           > F8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002136CE3EA00, 16 bytes long.
 Data: <&#216;W? &#247;           > D8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002136CE3EE10, 16 bytes long.
 Data: <P ? &#247;           > 50 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002136CE3EDC0, 16 bytes long.
 Data: <0 ? &#247;           > 30 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002136CE3E550, 16 bytes long.
 Data: <&#224; ? &#247;           > E0 02 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002136CE3E460, 16 bytes long.
 Data: <  ? &#247;           > 10 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002136CE3E370, 16 bytes long.
 Data: <p ? &#247;           > 70 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002136CE3ED70, 16 bytes long.
 Data: < &#192;= &#247;           > 18 C0 3D 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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