Task 38698513

Name test_532-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5048_0
Workunit 31639030
Created 2 Nov 2026, 16:43:07 UTC
Sent 2 Nov 2026, 16:43:12 UTC
Report deadline 7 Nov 2026, 16:43:12 UTC
Received 2 Nov 2026, 17:53:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591223
Run time 1 hours 8 min 31 sec
CPU time 1 hours 4 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.12 MB
Peak swap size 6.77 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:46:42 (24408): wrapper (7.9.26016): starting
11:46:42 (24408): 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
11:46:46 (24408): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:46:46 (24408): 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 'D:\ProgramData\BOINC\slots\2\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 'D:\ProgramData\BOINC\slots\2\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
12:52:30 (24408): C:/Windows/system32/cmd.exe exited; CPU time 3899.609375
12:52:30 (24408): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 87832823 bytes.
Dumping objects ->
{3835243} normal block at 0x000001C38337BEF0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001C38337BFD0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x000001C38337C200, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835210} normal block at 0x000001C38337C040, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x000001C38337C510, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835168} normal block at 0x000001C38331CE60, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x000001C38167A460, 135 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) : {3835154} normal block at 0x000001C38160DD20, 8 bytes long.
 Data: <  &#198; &#195;   > 00 00 C6 81 C3 01 00 00 
{3834554} normal block at 0x000001C381679AA0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001C38160DFF0, 8 bytes long.
 Data: < &#139;7&#131;&#195;   > 10 8B 37 83 C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001C381605E30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C381606DA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001C381615BF0, 16 bytes long.
 Data: <(ea &#195;           > 28 65 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C3816160A0, 16 bytes long.
 Data: < ea &#195;           > 00 65 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C381610270, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001C381615CE0, 16 bytes long.
 Data: <&#216;da &#195;           > D8 64 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C381615A10, 16 bytes long.
 Data: <&#176;da &#195;           > B0 64 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C381616050, 16 bytes long.
 Data: < da &#195;           > 88 64 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C381615A60, 16 bytes long.
 Data: <`da &#195;           > 60 64 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C3816137C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001C381616000, 16 bytes long.
 Data: <X&#204;_ &#195;           > 58 CC 5F 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C38160FE50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001C381616140, 16 bytes long.
 Data: <0&#204;_ &#195;           > 30 CC 5F 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C3816156F0, 16 bytes long.
 Data: < &#204;_ &#195;           > 08 CC 5F 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C381615C40, 16 bytes long.
 Data: <&#224;&#203;_ &#195;           > E0 CB 5F 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C381615F60, 16 bytes long.
 Data: <&#184;&#203;_ &#195;           > B8 CB 5F 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C381615EC0, 16 bytes long.
 Data: < &#203;_ &#195;           > 90 CB 5F 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C381615330, 16 bytes long.
 Data: <h&#203;_ &#195;           > 68 CB 5F 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C38160FDF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001C381615790, 16 bytes long.
 Data: <@&#203;_ &#195;           > 40 CB 5F 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C3815FCB40, 320 bytes long.
 Data: < Wa &#195;   &#240;&#253;` &#195;   > 90 57 61 81 C3 01 00 00 F0 FD 60 81 C3 01 00 00 
{278} normal block at 0x000001C381615BA0, 16 bytes long.
 Data: <@da &#195;           > 40 64 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C3816160F0, 16 bytes long.
 Data: < da &#195;           > 18 64 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C38160F8B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001C381615650, 16 bytes long.
 Data: <&#240;ca &#195;           > F0 63 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C38160FA30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001C381615290, 16 bytes long.
 Data: <8ca &#195;           > 38 63 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C381615B50, 16 bytes long.
 Data: < ca &#195;           > 10 63 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C381615E20, 16 bytes long.
 Data: <&#232;ba &#195;           > E8 62 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C381615D80, 16 bytes long.
 Data: <&#192;ba &#195;           > C0 62 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C381615F10, 16 bytes long.
 Data: < ba &#195;           > 98 62 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C381615DD0, 16 bytes long.
 Data: <pba &#195;           > 70 62 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C381615240, 16 bytes long.
 Data: <&#192;>a &#195;           > C0 3E 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C381613EC0, 40 bytes long.
 Data: <@Ra &#195;   `&#206;1&#131;&#195;   > 40 52 61 81 C3 01 00 00 60 CE 31 83 C3 01 00 00 
{264} normal block at 0x000001C3816155B0, 16 bytes long.
 Data: <Pba &#195;           > 50 62 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C381615FB0, 16 bytes long.
 Data: <(ba &#195;           > 28 62 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C381610210, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001C3816153D0, 16 bytes long.
 Data: < ba &#195;           > 00 62 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C381616200, 992 bytes long.
 Data: <&#208;Sa &#195;     a &#195;   > D0 53 61 81 C3 01 00 00 10 02 61 81 C3 01 00 00 
{96} normal block at 0x000001C381610570, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001C38160E1D0, 16 bytes long.
 Data: <P>a &#195;           > 50 3E 61 81 C3 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001C381613E50, 40 bytes long.
 Data: <&#208;&#225;` &#195;   p a &#195;   > D0 E1 60 81 C3 01 00 00 70 05 61 81 C3 01 00 00 
{73} normal block at 0x000001C38160E720, 16 bytes long.
 Data: < &#234;&#248; &#246;           > 80 EA F8 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C38160E900, 16 bytes long.
 Data: <@&#233;&#248; &#246;           > 40 E9 F8 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C38160DB40, 16 bytes long.
 Data: <&#248;W&#245; &#246;           > F8 57 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C38160E7C0, 16 bytes long.
 Data: <&#216;W&#245; &#246;           > D8 57 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C38160DFA0, 16 bytes long.
 Data: <P &#245; &#246;           > 50 04 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C38160E8B0, 16 bytes long.
 Data: <0 &#245; &#246;           > 30 04 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C38160E4A0, 16 bytes long.
 Data: <&#224; &#245; &#246;           > E0 02 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C38160DC80, 16 bytes long.
 Data: <  &#245; &#246;           > 10 04 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C38160E6D0, 16 bytes long.
 Data: <p &#245; &#246;           > 70 04 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C38160DF50, 16 bytes long.
 Data: < &#192;&#243; &#246;           > 18 C0 F3 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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