Task 38696808

Name test_579-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND7624_0
Workunit 31637424
Created 1 Nov 2026, 4:57:45 UTC
Sent 1 Nov 2026, 4:57:47 UTC
Report deadline 6 Nov 2026, 4:57:47 UTC
Received 1 Nov 2026, 7:01:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 603717
Run time 1 hours 46 min 54 sec
CPU time 1 hours 41 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.42 MB
Peak swap size 12.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:15:32 (4100): wrapper (7.9.26016): starting
06:15:32 (4100): 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
06:15:35 (4100): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:15:35 (4100): 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\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 'C:\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
08:00:46 (4100): C:/Windows/system32/cmd.exe exited; CPU time 6092.281250
08:00:46 (4100): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 105128913 bytes.
Dumping objects ->
{3835249} normal block at 0x00000114605567B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x0000011460556CF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000011460556BA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x0000011460556F90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000011460556D60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x0000011462134620, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x00000114605306F0, 235 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) : {3835160} normal block at 0x0000011460527660, 8 bytes long.
 Data: <  %b    > 00 00 25 62 14 01 00 00 
{3834554} normal block at 0x0000011460530820, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000011460527700, 8 bytes long.
 Data: <&#240;&#193;Q`    > F0 C1 51 60 14 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000011460532110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001146051B9A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000011460533CE0, 16 bytes long.
 Data: <xES`            > 78 45 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000011460533C40, 16 bytes long.
 Data: <PES`            > 50 45 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001146052E1E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000011460533920, 16 bytes long.
 Data: <(ES`            > 28 45 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000011460533C90, 16 bytes long.
 Data: < ES`            > 00 45 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000114605338D0, 16 bytes long.
 Data: <&#216;DS`            > D8 44 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000011460533880, 16 bytes long.
 Data: <&#176;DS`            > B0 44 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001146052C0A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000011460533BF0, 16 bytes long.
 Data: <(&#202;Q`            > 28 CA 51 60 14 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001146052E0C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000011460533740, 16 bytes long.
 Data: < &#202;Q`            > 00 CA 51 60 14 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000114605336F0, 16 bytes long.
 Data: <&#216;&#201;Q`            > D8 C9 51 60 14 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000114605336A0, 16 bytes long.
 Data: <&#176;&#201;Q`            > B0 C9 51 60 14 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000114605340F0, 16 bytes long.
 Data: < &#201;Q`            > 88 C9 51 60 14 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000011460533600, 16 bytes long.
 Data: <`&#201;Q`            > 60 C9 51 60 14 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000114605335B0, 16 bytes long.
 Data: <8&#201;Q`            > 38 C9 51 60 14 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001146052DFA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000011460533F10, 16 bytes long.
 Data: < &#201;Q`            > 10 C9 51 60 14 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001146051C910, 320 bytes long.
 Data: < ?S`    &#160;&#223;R`    > 10 3F 53 60 14 01 00 00 A0 DF 52 60 14 01 00 00 
{269} normal block at 0x0000011460533830, 16 bytes long.
 Data: < DS`            > 90 44 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000011460533560, 16 bytes long.
 Data: <hDS`            > 68 44 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001146052E060, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000114605333D0, 16 bytes long.
 Data: <@DS`            > 40 44 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001146052E300, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000011460533380, 16 bytes long.
 Data: < CS`            > 88 43 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000011460533790, 16 bytes long.
 Data: <`CS`            > 60 43 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000114605332E0, 16 bytes long.
 Data: <8CS`            > 38 43 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000011460533BA0, 16 bytes long.
 Data: < CS`            > 10 43 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000011460533B50, 16 bytes long.
 Data: <&#232;BS`            > E8 42 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000011460534190, 16 bytes long.
 Data: <&#192;BS`            > C0 42 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000114605340A0, 16 bytes long.
 Data: < &#193;R`            > 10 C1 52 60 14 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001146052C110, 40 bytes long.
 Data: <&#160;@S`     F b    > A0 40 53 60 14 01 00 00 20 46 13 62 14 01 00 00 
{255} normal block at 0x0000011460534140, 16 bytes long.
 Data: <&#160;BS`            > A0 42 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000011460533B00, 16 bytes long.
 Data: <xBS`            > 78 42 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001146052DD60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000114605334C0, 16 bytes long.
 Data: <PBS`            > 50 42 53 60 14 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000011460534250, 992 bytes long.
 Data: <&#192;4S`    `&#221;R`    > C0 34 53 60 14 01 00 00 60 DD 52 60 14 01 00 00 
{87} normal block at 0x000001146052DC40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000114605277A0, 16 bytes long.
 Data: < &#197;R`            > 00 C5 52 60 14 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001146052C500, 40 bytes long.
 Data: <&#160;wR`    @&#220;R`    > A0 77 52 60 14 01 00 00 40 DC 52 60 14 01 00 00 
{64} normal block at 0x00000114605274D0, 16 bytes long.
 Data: < &#234;&#199;&#200;&#246;           > 80 EA C7 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000011460527430, 16 bytes long.
 Data: <@&#233;&#199;&#200;&#246;           > 40 E9 C7 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000011460527390, 16 bytes long.
 Data: <&#248;W&#196;&#200;&#246;           > F8 57 C4 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000114605272F0, 16 bytes long.
 Data: <&#216;W&#196;&#200;&#246;           > D8 57 C4 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000114605273E0, 16 bytes long.
 Data: <P &#196;&#200;&#246;           > 50 04 C4 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000114605281A0, 16 bytes long.
 Data: <0 &#196;&#200;&#246;           > 30 04 C4 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000011460527250, 16 bytes long.
 Data: <&#224; &#196;&#200;&#246;           > E0 02 C4 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000011460528150, 16 bytes long.
 Data: <  &#196;&#200;&#246;           > 10 04 C4 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000011460528100, 16 bytes long.
 Data: <p &#196;&#200;&#246;           > 70 04 C4 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000011460528060, 16 bytes long.
 Data: < &#192;&#194;&#200;&#246;           > 18 C0 C2 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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