Task 38683292

Name test_504-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND7247_0
Workunit 31624865
Created 27 Oct 2026, 11:16:01 UTC
Sent 27 Oct 2026, 11:16:11 UTC
Report deadline 1 Nov 2026, 11:16:11 UTC
Received 27 Oct 2026, 11:47:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654960
Run time 30 min 43 sec
CPU time 28 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 803.89 MB
Peak swap size 13.02 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:18:31 (25208): wrapper (7.9.26016): starting
04:18:31 (25208): 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
04:18:32 (25208): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:18:32 (25208): 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\32\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\32\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
04:47:21 (25208): C:/Windows/system32/cmd.exe exited; CPU time 1710.406250
04:47:21 (25208): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 40488765 bytes.
Dumping objects ->
{3835451} normal block at 0x000001E70B2769E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x000001E70B276970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x000001E70B276900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x000001E70B276660, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x000001E70B276510, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x000001E70CEE5C60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x000001E70CEFECC0, 102 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) : {3835362} normal block at 0x000001E70B26F2F0, 8 bytes long.
 Data: <    &#231;   > 00 00 20 0B E7 01 00 00 
{3834640} normal block at 0x000001E70CEFF500, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001E70B26FCF0, 8 bytes long.
 Data: <&#160;&#169;&#239; &#231;   > A0 A9 EF 0C E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001E70B270670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E70B266250, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001E70B275310, 16 bytes long.
 Data: <&#200;c' &#231;           > C8 63 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E70B2756D0, 16 bytes long.
 Data: <&#160;c' &#231;           > A0 63 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E70B2719D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001E70B2751D0, 16 bytes long.
 Data: <xc' &#231;           > 78 63 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E70B275E50, 16 bytes long.
 Data: <Pc' &#231;           > 50 63 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E70B275630, 16 bytes long.
 Data: <(c' &#231;           > 28 63 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E70B2750E0, 16 bytes long.
 Data: < c' &#231;           > 00 63 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E70B2765F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001E70B2753B0, 16 bytes long.
 Data: <&#216;&#247;% &#231;           > D8 F7 25 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E70B271C70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001E70B275180, 16 bytes long.
 Data: <&#176;&#247;% &#231;           > B0 F7 25 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E70B275950, 16 bytes long.
 Data: < &#247;% &#231;           > 88 F7 25 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E70B275D60, 16 bytes long.
 Data: <`&#247;% &#231;           > 60 F7 25 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E70B275B80, 16 bytes long.
 Data: <8&#247;% &#231;           > 38 F7 25 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E70B275590, 16 bytes long.
 Data: < &#247;% &#231;           > 10 F7 25 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E70B275A40, 16 bytes long.
 Data: <&#232;&#246;% &#231;           > E8 F6 25 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E70B271CD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001E70B275810, 16 bytes long.
 Data: <&#192;&#246;% &#231;           > C0 F6 25 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E70B25F6C0, 320 bytes long.
 Data: < X' &#231;   &#208; ' &#231;   > 10 58 27 0B E7 01 00 00 D0 1C 27 0B E7 01 00 00 
{268} normal block at 0x000001E70B275CC0, 16 bytes long.
 Data: <&#224;b' &#231;           > E0 62 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E70B275130, 16 bytes long.
 Data: <&#184;b' &#231;           > B8 62 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E70B271970, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001E70B2757C0, 16 bytes long.
 Data: < b' &#231;           > 90 62 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E70B2722D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001E70B275E00, 16 bytes long.
 Data: <&#216;a' &#231;           > D8 61 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E70B275DB0, 16 bytes long.
 Data: <&#176;a' &#231;           > B0 61 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E70B2758B0, 16 bytes long.
 Data: < a' &#231;           > 88 61 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E70B275B30, 16 bytes long.
 Data: <`a' &#231;           > 60 61 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E70B276030, 16 bytes long.
 Data: <8a' &#231;           > 38 61 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E70B275770, 16 bytes long.
 Data: < a' &#231;           > 10 61 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E70B275C20, 16 bytes long.
 Data: <&#224;&#215;% &#231;           > E0 D7 25 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E70B25D7E0, 40 bytes long.
 Data: < \' &#231;   `\&#238; &#231;   > 20 5C 27 0B E7 01 00 00 60 5C EE 0C E7 01 00 00 
{254} normal block at 0x000001E70B275D10, 16 bytes long.
 Data: <&#240;`' &#231;           > F0 60 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001E70B2754A0, 16 bytes long.
 Data: <&#200;`' &#231;           > C8 60 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001E70B272450, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001E70B275540, 16 bytes long.
 Data: <&#160;`' &#231;           > A0 60 27 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001E70B2760A0, 992 bytes long.
 Data: <@U' &#231;   P$' &#231;   > 40 55 27 0B E7 01 00 00 50 24 27 0B E7 01 00 00 
{86} normal block at 0x000001E70B271FD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001E70B26F3E0, 16 bytes long.
 Data: <&#240;&#203;% &#231;           > F0 CB 25 0B E7 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001E70B25CBF0, 40 bytes long.
 Data: <&#224;&#243;& &#231;   &#208; ' &#231;   > E0 F3 26 0B E7 01 00 00 D0 1F 27 0B E7 01 00 00 
{63} normal block at 0x000001E70B26F250, 16 bytes long.
 Data: < &#234;&#165;y&#247;           > 80 EA A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E70B26F200, 16 bytes long.
 Data: <@&#233;&#165;y&#247;           > 40 E9 A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E70B26F1B0, 16 bytes long.
 Data: <&#248;W&#162;y&#247;           > F8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E70B26F4D0, 16 bytes long.
 Data: <&#216;W&#162;y&#247;           > D8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E70B26F890, 16 bytes long.
 Data: <P &#162;y&#247;           > 50 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E70B26F480, 16 bytes long.
 Data: <0 &#162;y&#247;           > 30 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E70B26F390, 16 bytes long.
 Data: <&#224; &#162;y&#247;           > E0 02 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E70B26EF80, 16 bytes long.
 Data: <  &#162;y&#247;           > 10 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001E70B26F840, 16 bytes long.
 Data: <p &#162;y&#247;           > 70 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001E70B26F5C0, 16 bytes long.
 Data: < &#192;&#160;y&#247;           > 18 C0 A0 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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