Task 38674543

Name test_741-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5122_0
Workunit 31616574
Created 26 Oct 2026, 5:36:24 UTC
Sent 26 Oct 2026, 5:36:28 UTC
Report deadline 31 Oct 2026, 5:36:28 UTC
Received 26 Oct 2026, 7:16:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609629
Run time 59 min 13 sec
CPU time 52 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,533.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.55 MB
Peak swap size 18.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:18:31 (13580): wrapper (7.9.26016): starting
08:18:31 (13580): 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
08:18:33 (13580): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:18:33 (13580): 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\6\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\6\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
09:15:54 (13580): C:/Windows/system32/cmd.exe exited; CPU time 3124.687500
09:15:54 (13580): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 62358437 bytes.
Dumping objects ->
{3835246} normal block at 0x000001EAB0C60D50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000001EAB0C60EA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001EAB0C609D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835213} normal block at 0x000001EAB0C61610, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x000001EAB0C61220, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835171} normal block at 0x000001EAB0D0FB70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835160} normal block at 0x000001EAB0DB5470, 180 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) : {3835157} normal block at 0x000001EAAEF5BFC0, 8 bytes long.
 Data: <  &#231;&#174;&#234;   > 00 00 E7 AE EA 01 00 00 
{3834550} normal block at 0x000001EAB0DB5290, 180 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 0x000001EAAEF5B980, 8 bytes long.
 Data: <&#128;&#235;&#198;&#176;&#234;   > 80 EB C6 B0 EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001EAAEF64D50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EAAEF50270, 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 0x000001EAAEF660B0, 16 bytes long.
 Data: <xt&#246;&#174;&#234;           > 78 74 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EAAEF65ED0, 16 bytes long.
 Data: <Pt&#246;&#174;&#234;           > 50 74 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EAAEF61C20, 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 0x000001EAAEF65E30, 16 bytes long.
 Data: <(t&#246;&#174;&#234;           > 28 74 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EAAEF66BF0, 16 bytes long.
 Data: < t&#246;&#174;&#234;           > 00 74 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EAAEF65DE0, 16 bytes long.
 Data: <&#216;s&#246;&#174;&#234;           > D8 73 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EAAEF66AB0, 16 bytes long.
 Data: <&#176;s&#246;&#174;&#234;           > B0 73 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EAAEF61510, 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 0x000001EAAEF66600, 16 bytes long.
 Data: < &#252;&#244;&#174;&#234;           > 08 FC F4 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EAAEF61EC0, 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 0x000001EAAEF66010, 16 bytes long.
 Data: <&#224;&#251;&#244;&#174;&#234;           > E0 FB F4 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EAAEF66060, 16 bytes long.
 Data: <&#184;&#251;&#244;&#174;&#234;           > B8 FB F4 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EAAEF66CE0, 16 bytes long.
 Data: <&#144;&#251;&#244;&#174;&#234;           > 90 FB F4 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EAAEF65D90, 16 bytes long.
 Data: <h&#251;&#244;&#174;&#234;           > 68 FB F4 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EAAEF66A60, 16 bytes long.
 Data: <@&#251;&#244;&#174;&#234;           > 40 FB F4 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EAAEF664C0, 16 bytes long.
 Data: < &#251;&#244;&#174;&#234;           > 18 FB F4 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EAAEF62820, 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 0x000001EAAEF66470, 16 bytes long.
 Data: <&#240;&#250;&#244;&#174;&#234;           > F0 FA F4 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EAAEF4FAF0, 320 bytes long.
 Data: <pd&#246;&#174;&#234;    (&#246;&#174;&#234;   > 70 64 F6 AE EA 01 00 00 20 28 F6 AE EA 01 00 00 
{269} normal block at 0x000001EAAEF66A10, 16 bytes long.
 Data: <&#144;s&#246;&#174;&#234;           > 90 73 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EAAEF66560, 16 bytes long.
 Data: <hs&#246;&#174;&#234;           > 68 73 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EAAEF623A0, 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 0x000001EAAEF661F0, 16 bytes long.
 Data: <@s&#246;&#174;&#234;           > 40 73 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EAAEF61FE0, 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 0x000001EAAEF66330, 16 bytes long.
 Data: < r&#246;&#174;&#234;           > 88 72 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EAAEF65F70, 16 bytes long.
 Data: <`r&#246;&#174;&#234;           > 60 72 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EAAEF662E0, 16 bytes long.
 Data: <8r&#246;&#174;&#234;           > 38 72 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EAAEF66C40, 16 bytes long.
 Data: < r&#246;&#174;&#234;           > 10 72 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EAAEF666A0, 16 bytes long.
 Data: <&#232;q&#246;&#174;&#234;           > E8 71 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EAAEF66290, 16 bytes long.
 Data: <&#192;q&#246;&#174;&#234;           > C0 71 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EAAEF65FC0, 16 bytes long.
 Data: <&#176; &#246;&#174;&#234;           > B0 17 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EAAEF617B0, 40 bytes long.
 Data: <&#192;_&#246;&#174;&#234;   p&#251;&#208;&#176;&#234;   > C0 5F F6 AE EA 01 00 00 70 FB D0 B0 EA 01 00 00 
{255} normal block at 0x000001EAAEF66150, 16 bytes long.
 Data: <&#160;q&#246;&#174;&#234;           > A0 71 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001EAAEF66970, 16 bytes long.
 Data: <xq&#246;&#174;&#234;           > 78 71 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001EAAEF62100, 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 0x000001EAAEF663D0, 16 bytes long.
 Data: <Pq&#246;&#174;&#234;           > 50 71 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001EAAEF67150, 992 bytes long.
 Data: <&#208;c&#246;&#174;&#234;    !&#246;&#174;&#234;   > D0 63 F6 AE EA 01 00 00 00 21 F6 AE EA 01 00 00 
{87} normal block at 0x000001EAAEF61B60, 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 0x000001EAAEF5B5C0, 16 bytes long.
 Data: <  &#246;&#174;&#234;           > 20 18 F6 AE EA 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001EAAEF61820, 40 bytes long.
 Data: <&#192;&#181;&#245;&#174;&#234;   ` &#246;&#174;&#234;   > C0 B5 F5 AE EA 01 00 00 60 1B F6 AE EA 01 00 00 
{64} normal block at 0x000001EAAEF5BAC0, 16 bytes long.
 Data: <&#128;&#234;&#239;'&#246;           > 80 EA EF 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EAAEF5B3E0, 16 bytes long.
 Data: <@&#233;&#239;'&#246;           > 40 E9 EF 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EAAEF5BF70, 16 bytes long.
 Data: <&#248;W&#236;'&#246;           > F8 57 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EAAEF5BD40, 16 bytes long.
 Data: <&#216;W&#236;'&#246;           > D8 57 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EAAEF5B200, 16 bytes long.
 Data: <P &#236;'&#246;           > 50 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EAAEF5B160, 16 bytes long.
 Data: <0 &#236;'&#246;           > 30 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EAAEF5BCF0, 16 bytes long.
 Data: <&#224; &#236;'&#246;           > E0 02 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001EAAEF5C0B0, 16 bytes long.
 Data: <  &#236;'&#246;           > 10 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001EAAEF5BE30, 16 bytes long.
 Data: <p &#236;'&#246;           > 70 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001EAAEF5B2A0, 16 bytes long.
 Data: < &#192;&#234;'&#246;           > 18 C0 EA 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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