Task 38680765

Name test_401-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND8527_0
Workunit 31622466
Created 27 Oct 2026, 1:23:04 UTC
Sent 27 Oct 2026, 1:23:11 UTC
Report deadline 1 Nov 2026, 1:23:11 UTC
Received 27 Oct 2026, 2:56:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550864
Run time 45 min 28 sec
CPU time 43 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 642.54 MB
Peak swap size 3.69 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:10:58 (15880): wrapper (7.9.26016): starting
22:10:58 (15880): 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
22:10:59 (15880): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:10:59 (15880): 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 'P:\BOINC\data\slots\1\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 'P:\BOINC\data\slots\1\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
22:55:58 (15880): C:/Windows/system32/cmd.exe exited; CPU time 2588.515625
22:55:58 (15880): 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: 35479933 bytes.
Dumping objects ->
{3835191} normal block at 0x00000130B77C6650, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835180} normal block at 0x00000130B9285A70, 32 bytes long.
 Data: <HOME=P:\BOINC\da> 48 4F 4D 45 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835169} normal block at 0x00000130B9285830, 32 bytes long.
 Data: <TMP=P:\BOINC\dat> 54 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835158} normal block at 0x00000130B9285950, 32 bytes long.
 Data: <TEMP=P:\BOINC\da> 54 45 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835147} normal block at 0x00000130B92858F0, 32 bytes long.
 Data: <TMPDIR=P:\BOINC\> 54 4D 50 44 49 52 3D 50 3A 5C 42 4F 49 4E 43 5C 
{3835116} normal block at 0x00000130B77C6420, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x00000130B7796770, 8 bytes long.
 Data: <  q&#183;0   > 00 00 71 B7 30 01 00 00 
{3833953} normal block at 0x00000130B7796720, 8 bytes long.
 Data: <&#160;""&#185;0   > A0 22 22 B9 30 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000130B77A0130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000130B779C7E0, 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 0x00000130B77A12B0, 16 bytes long.
 Data: <&#184;8z&#183;0           > B8 38 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000130B77A19E0, 16 bytes long.
 Data: < 8z&#183;0           > 90 38 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000130B779D410, 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 0x00000130B77A1990, 16 bytes long.
 Data: <h8z&#183;0           > 68 38 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000130B77A1490, 16 bytes long.
 Data: <@8z&#183;0           > 40 38 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000130B77A13A0, 16 bytes long.
 Data: < 8z&#183;0           > 18 38 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000130B77A1B20, 16 bytes long.
 Data: <&#240;7z&#183;0           > F0 37 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000130B779B890, 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 0x00000130B77A11C0, 16 bytes long.
 Data: < &#188;x&#183;0           > 18 BC 78 B7 30 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000130B779D290, 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 0x00000130B77A1760, 16 bytes long.
 Data: <&#240;&#187;x&#183;0           > F0 BB 78 B7 30 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000130B77A1850, 16 bytes long.
 Data: <&#200;&#187;x&#183;0           > C8 BB 78 B7 30 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000130B77A2110, 16 bytes long.
 Data: <&#160;&#187;x&#183;0           > A0 BB 78 B7 30 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000130B77A1C60, 16 bytes long.
 Data: <x&#187;x&#183;0           > 78 BB 78 B7 30 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000130B77A1530, 16 bytes long.
 Data: <P&#187;x&#183;0           > 50 BB 78 B7 30 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000130B77A1C10, 16 bytes long.
 Data: <(&#187;x&#183;0           > 28 BB 78 B7 30 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000130B779D530, 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 0x00000130B77A1440, 16 bytes long.
 Data: < &#187;x&#183;0           > 00 BB 78 B7 30 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000130B778BB00, 320 bytes long.
 Data: <@ z&#183;0   0&#213;y&#183;0   > 40 14 7A B7 30 01 00 00 30 D5 79 B7 30 01 00 00 
{272} normal block at 0x00000130B77A18F0, 16 bytes long.
 Data: <&#208;7z&#183;0           > D0 37 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000130B77A18A0, 16 bytes long.
 Data: <&#168;7z&#183;0           > A8 37 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000130B779D350, 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 0x00000130B77A20C0, 16 bytes long.
 Data: < 7z&#183;0           > 80 37 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000130B779C9F0, 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 0x00000130B77A16C0, 16 bytes long.
 Data: <&#200;6z&#183;0           > C8 36 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000130B77A1AD0, 16 bytes long.
 Data: <&#160;6z&#183;0           > A0 36 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000130B77A1E90, 16 bytes long.
 Data: <x6z&#183;0           > 78 36 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000130B77A1670, 16 bytes long.
 Data: <P6z&#183;0           > 50 36 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000130B77A2070, 16 bytes long.
 Data: <(6z&#183;0           > 28 36 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000130B77A13F0, 16 bytes long.
 Data: < 6z&#183;0           > 00 36 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000130B77A2020, 16 bytes long.
 Data: <p&#185;y&#183;0           > 70 B9 79 B7 30 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000130B779B970, 40 bytes long.
 Data: <  z&#183;0    d|&#183;0   > 20 20 7A B7 30 01 00 00 20 64 7C B7 30 01 00 00 
{258} normal block at 0x00000130B77A1DF0, 16 bytes long.
 Data: <&#224;5z&#183;0           > E0 35 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000130B77A1620, 16 bytes long.
 Data: <&#184;5z&#183;0           > B8 35 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000130B779CD50, 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 0x00000130B77A1350, 16 bytes long.
 Data: < 5z&#183;0           > 90 35 7A B7 30 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000130B77A3590, 992 bytes long.
 Data: <P z&#183;0   P&#205;y&#183;0   > 50 13 7A B7 30 01 00 00 50 CD 79 B7 30 01 00 00 
{90} normal block at 0x00000130B779CC30, 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 0x00000130B7796A90, 16 bytes long.
 Data: <&#176;&#183;y&#183;0           > B0 B7 79 B7 30 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000130B779B7B0, 40 bytes long.
 Data: < jy&#183;0   0&#204;y&#183;0   > 90 6A 79 B7 30 01 00 00 30 CC 79 B7 30 01 00 00 
{67} normal block at 0x00000130B77973A0, 16 bytes long.
 Data: < &#234;[&#255;&#247;           > 80 EA 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000130B7796E50, 16 bytes long.
 Data: <@&#233;[&#255;&#247;           > 40 E9 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000130B7796D10, 16 bytes long.
 Data: <&#248;WX&#255;&#247;           > F8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000130B7796CC0, 16 bytes long.
 Data: <&#216;WX&#255;&#247;           > D8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000130B7796680, 16 bytes long.
 Data: <P X&#255;&#247;           > 50 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000130B7797530, 16 bytes long.
 Data: <0 X&#255;&#247;           > 30 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000130B77969A0, 16 bytes long.
 Data: <&#224; X&#255;&#247;           > E0 02 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000130B77970D0, 16 bytes long.
 Data: <  X&#255;&#247;           > 10 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000130B7797080, 16 bytes long.
 Data: <p X&#255;&#247;           > 70 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000130B7796950, 16 bytes long.
 Data: < &#192;V&#255;&#247;           > 18 C0 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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