Task 38678367

Name test_865-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND3949_0
Workunit 31620188
Created 26 Oct 2026, 17:10:48 UTC
Sent 26 Oct 2026, 17:10:59 UTC
Report deadline 31 Oct 2026, 17:10:59 UTC
Received 26 Oct 2026, 18:50:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654846
Run time 49 min 20 sec
CPU time 42 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 638.93 MB
Peak swap size 3.08 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:00:20 (6752): wrapper (7.9.26016): starting
20:00:20 (6752): 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
20:00:22 (6752): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:00:22 (6752): 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 'D:\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 'D:\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
20:48:15 (6752): C:/Windows/system32/cmd.exe exited; CPU time 2544.453125
20:48:15 (6752): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32785645 bytes.
Dumping objects ->
{3835253} normal block at 0x000002B87282AD60, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000002B87282AE40, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002B87282A820, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x000002B870DAC560, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000002B870DAC4F0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000002B872874D10, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x000002B872790640, 160 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) : {3835164} normal block at 0x000002B870DA7A50, 8 bytes long.
 Data: <  sr&#184;   > 00 00 73 72 B8 02 00 00 
{3834552} normal block at 0x000002B8727908E0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000002B870DA7AA0, 8 bytes long.
 Data: < &#229;rr&#184;   > 80 E5 72 72 B8 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000002B870DB1180, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B870D9AED0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000002B870DB2490, 16 bytes long.
 Data: <&#200;G&#219;p&#184;           > C8 47 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B870DB2440, 16 bytes long.
 Data: <&#160;G&#219;p&#184;           > A0 47 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B870DAE190, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000002B870DB2C60, 16 bytes long.
 Data: <xG&#219;p&#184;           > 78 47 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B870DB2AD0, 16 bytes long.
 Data: <PG&#219;p&#184;           > 50 47 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B870DB2D50, 16 bytes long.
 Data: <(G&#219;p&#184;           > 28 47 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B870DB2A30, 16 bytes long.
 Data: < G&#219;p&#184;           > 00 47 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B870DAC020, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000002B870DB2990, 16 bytes long.
 Data: <&#184;\&#217;p&#184;           > B8 5C D9 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B870DADC50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000002B870DB28F0, 16 bytes long.
 Data: < \&#217;p&#184;           > 90 5C D9 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B870DB23F0, 16 bytes long.
 Data: <h\&#217;p&#184;           > 68 5C D9 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B870DB2A80, 16 bytes long.
 Data: <@\&#217;p&#184;           > 40 5C D9 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B870DB2C10, 16 bytes long.
 Data: < \&#217;p&#184;           > 18 5C D9 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B870DB2120, 16 bytes long.
 Data: <&#240;[&#217;p&#184;           > F0 5B D9 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B870DB28A0, 16 bytes long.
 Data: <&#200;[&#217;p&#184;           > C8 5B D9 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B870DAD9B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000002B870DB2940, 16 bytes long.
 Data: <&#160;[&#217;p&#184;           > A0 5B D9 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B870D95BA0, 320 bytes long.
 Data: <@)&#219;p&#184;   &#176;&#217;&#218;p&#184;   > 40 29 DB 70 B8 02 00 00 B0 D9 DA 70 B8 02 00 00 
{267} normal block at 0x000002B870DB3020, 16 bytes long.
 Data: <&#224;F&#219;p&#184;           > E0 46 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B870DB2DA0, 16 bytes long.
 Data: <&#184;F&#219;p&#184;           > B8 46 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B870DADBF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000002B870DB23A0, 16 bytes long.
 Data: < F&#219;p&#184;           > 90 46 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B870DAE550, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000002B870DB2350, 16 bytes long.
 Data: <&#216;E&#219;p&#184;           > D8 45 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B870DB2B20, 16 bytes long.
 Data: <&#176;E&#219;p&#184;           > B0 45 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B870DB2CB0, 16 bytes long.
 Data: < E&#219;p&#184;           > 88 45 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B870DB2850, 16 bytes long.
 Data: <`E&#219;p&#184;           > 60 45 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B870DB2E40, 16 bytes long.
 Data: <8E&#219;p&#184;           > 38 45 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002B870DB2800, 16 bytes long.
 Data: < E&#219;p&#184;           > 10 45 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002B870DB2260, 16 bytes long.
 Data: <&#224;&#193;&#218;p&#184;           > E0 C1 DA 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002B870DAC1E0, 40 bytes long.
 Data: <`"&#219;p&#184;    M&#135;r&#184;   > 60 22 DB 70 B8 02 00 00 10 4D 87 72 B8 02 00 00 
{253} normal block at 0x000002B870DB2B70, 16 bytes long.
 Data: <&#240;D&#219;p&#184;           > F0 44 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002B870DB24E0, 16 bytes long.
 Data: <&#200;D&#219;p&#184;           > C8 44 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002B870DAE670, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000002B870DB27B0, 16 bytes long.
 Data: <&#160;D&#219;p&#184;           > A0 44 DB 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000002B870DB44A0, 992 bytes long.
 Data: <&#176;'&#219;p&#184;   p&#230;&#218;p&#184;   > B0 27 DB 70 B8 02 00 00 70 E6 DA 70 B8 02 00 00 
{85} normal block at 0x000002B870DAE370, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000002B870DA7FA0, 16 bytes long.
 Data: <@&#198;&#218;p&#184;           > 40 C6 DA 70 B8 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002B870DAC640, 40 bytes long.
 Data: <&#160; &#218;p&#184;   p&#227;&#218;p&#184;   > A0 7F DA 70 B8 02 00 00 70 E3 DA 70 B8 02 00 00 
{62} normal block at 0x000002B870DA7550, 16 bytes long.
 Data: < &#234; &#237;&#247;           > 80 EA 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B870DA7690, 16 bytes long.
 Data: <@&#233; &#237;&#247;           > 40 E9 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B870DA7500, 16 bytes long.
 Data: <&#248;W&#254;&#236;&#247;           > F8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002B870DA79B0, 16 bytes long.
 Data: <&#216;W&#254;&#236;&#247;           > D8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002B870DA7F00, 16 bytes long.
 Data: <P &#254;&#236;&#247;           > 50 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002B870DA7B90, 16 bytes long.
 Data: <0 &#254;&#236;&#247;           > 30 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002B870DA77D0, 16 bytes long.
 Data: <&#224; &#254;&#236;&#247;           > E0 02 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002B870DA8220, 16 bytes long.
 Data: <  &#254;&#236;&#247;           > 10 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002B870DA7D70, 16 bytes long.
 Data: <p &#254;&#236;&#247;           > 70 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002B870DA7B40, 16 bytes long.
 Data: < &#192;&#252;&#236;&#247;           > 18 C0 FC EC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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