Task 38670752

Name test_877-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND6011_0
Workunit 31612980
Created 25 Oct 2026, 18:29:49 UTC
Sent 25 Oct 2026, 18:29:51 UTC
Report deadline 30 Oct 2026, 18:29:51 UTC
Received 25 Oct 2026, 18:46:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654752
Run time 16 min 6 sec
CPU time 15 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.05 MB
Peak swap size 9.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:30:30 (3860): wrapper (7.9.26016): starting
18:30:30 (3860): 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
18:30:31 (3860): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:30:31 (3860): 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
18:46:07 (3860): C:/Windows/system32/cmd.exe exited; CPU time 930.625000
18:46:07 (3860): 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: 15187075 bytes.
Dumping objects ->
{3835548} normal block at 0x000001D14679BAC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x000001D14679C4D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835526} normal block at 0x000001D14679C460, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835515} normal block at 0x000001D144B14CE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835504} normal block at 0x000001D144B14C70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835473} normal block at 0x000001D1467E5380, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835462} normal block at 0x000001D1467FE5C0, 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) : {3835459} normal block at 0x000001D144B0ED90, 8 bytes long.
 Data: <  &#174;D&#209;   > 00 00 AE 44 D1 01 00 00 
{3834684} normal block at 0x000001D1467FDA10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001D144B0E840, 8 bytes long.
 Data: <  &#179;D&#209;   > 80 90 B3 44 D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D144B11350, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D144B060B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001D144B15A30, 16 bytes long.
 Data: < V&#177;D&#209;           > 18 56 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D144B158F0, 16 bytes long.
 Data: <&#240;U&#177;D&#209;           > F0 55 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D144B0F860, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001D144B15BC0, 16 bytes long.
 Data: <&#200;U&#177;D&#209;           > C8 55 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D144B15990, 16 bytes long.
 Data: <&#160;U&#177;D&#209;           > A0 55 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D144B16430, 16 bytes long.
 Data: <xU&#177;D&#209;           > 78 55 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D144B15DF0, 16 bytes long.
 Data: <PU&#177;D&#209;           > 50 55 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D144B147A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001D144B15C10, 16 bytes long.
 Data: <8&#231;&#176;D&#209;           > 38 E7 B0 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D144B10220, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001D144B16020, 16 bytes long.
 Data: < &#231;&#176;D&#209;           > 10 E7 B0 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D144B15DA0, 16 bytes long.
 Data: <&#232;&#230;&#176;D&#209;           > E8 E6 B0 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D144B15CB0, 16 bytes long.
 Data: <&#192;&#230;&#176;D&#209;           > C0 E6 B0 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D144B15B70, 16 bytes long.
 Data: < &#230;&#176;D&#209;           > 98 E6 B0 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D144B15940, 16 bytes long.
 Data: <p&#230;&#176;D&#209;           > 70 E6 B0 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D144B15B20, 16 bytes long.
 Data: <H&#230;&#176;D&#209;           > 48 E6 B0 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D144B0FB60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001D144B160C0, 16 bytes long.
 Data: < &#230;&#176;D&#209;           > 20 E6 B0 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D144B0E620, 320 bytes long.
 Data: <&#192;`&#177;D&#209;   `&#251;&#176;D&#209;   > C0 60 B1 44 D1 01 00 00 60 FB B0 44 D1 01 00 00 
{275} normal block at 0x000001D144B162F0, 16 bytes long.
 Data: <0U&#177;D&#209;           > 30 55 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D144B163E0, 16 bytes long.
 Data: < U&#177;D&#209;           > 08 55 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D144B10160, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001D144B15D00, 16 bytes long.
 Data: <&#224;T&#177;D&#209;           > E0 54 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D144B0FF20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001D144B16200, 16 bytes long.
 Data: <(T&#177;D&#209;           > 28 54 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D144B15D50, 16 bytes long.
 Data: < T&#177;D&#209;           > 00 54 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D144B15C60, 16 bytes long.
 Data: <&#216;S&#177;D&#209;           > D8 53 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D144B16390, 16 bytes long.
 Data: <&#176;S&#177;D&#209;           > B0 53 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D144B161B0, 16 bytes long.
 Data: < S&#177;D&#209;           > 88 53 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D144B0ED40, 16 bytes long.
 Data: <`S&#177;D&#209;           > 60 53 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D144B0EC00, 16 bytes long.
 Data: <PM&#177;D&#209;           > 50 4D B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D144B14D50, 40 bytes long.
 Data: < &#236;&#176;D&#209;    S~F&#209;   > 00 EC B0 44 D1 01 00 00 80 53 7E 46 D1 01 00 00 
{261} normal block at 0x000001D144B0EB60, 16 bytes long.
 Data: <@S&#177;D&#209;           > 40 53 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D144B0ECF0, 16 bytes long.
 Data: < S&#177;D&#209;           > 18 53 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D144B0F9E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001D144B0E9D0, 16 bytes long.
 Data: <&#240;R&#177;D&#209;           > F0 52 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D144B152F0, 992 bytes long.
 Data: <&#208;&#233;&#176;D&#209;   &#224;&#249;&#176;D&#209;   > D0 E9 B0 44 D1 01 00 00 E0 F9 B0 44 D1 01 00 00 
{93} normal block at 0x000001D144B10700, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001D144B0ECA0, 16 bytes long.
 Data: <`I&#177;D&#209;           > 60 49 B1 44 D1 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001D144B14960, 40 bytes long.
 Data: <&#160;&#236;&#176;D&#209;     &#177;D&#209;   > A0 EC B0 44 D1 01 00 00 00 07 B1 44 D1 01 00 00 
{70} normal block at 0x000001D144B0F650, 16 bytes long.
 Data: < &#234;!O&#247;           > 80 EA 21 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D144B0F560, 16 bytes long.
 Data: <@&#233;!O&#247;           > 40 E9 21 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D144B0F010, 16 bytes long.
 Data: <&#248;W O&#247;           > F8 57 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D144B0F510, 16 bytes long.
 Data: <&#216;W O&#247;           > D8 57 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D144B0EBB0, 16 bytes long.
 Data: <P  O&#247;           > 50 04 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D144B0EFC0, 16 bytes long.
 Data: <0  O&#247;           > 30 04 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D144B0F4C0, 16 bytes long.
 Data: <&#224;  O&#247;           > E0 02 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D144B0F0B0, 16 bytes long.
 Data: <   O&#247;           > 10 04 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D144B0EC50, 16 bytes long.
 Data: <p  O&#247;           > 70 04 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D144B0F060, 16 bytes long.
 Data: < &#192; O&#247;           > 18 C0 1C 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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