Task 38665972

Name test_880-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND9398_0
Workunit 31609007
Created 25 Oct 2026, 1:51:45 UTC
Sent 25 Oct 2026, 3:33:23 UTC
Report deadline 30 Oct 2026, 3:33:23 UTC
Received 25 Oct 2026, 17:33:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654590
Run time 10 hours 27 min 44 sec
CPU time 9 hours 58 min 26 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.88 MB
Peak swap size 6.94 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:06:42 (2308): wrapper (7.9.26016): starting
00:06:42 (2308): 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
00:06:49 (2308): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:06:49 (2308): 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
10:32:42 (2308): C:/Windows/system32/cmd.exe exited; CPU time 35906.671875
10:32:42 (2308): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 594564443 bytes.
Dumping objects ->
{3835449} normal block at 0x0000024F805D9E30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x0000024F805B4040, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000024F805B4580, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835416} normal block at 0x0000024F805B4510, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x0000024F805B44A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835374} normal block at 0x0000024F822CBF40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x0000024F8060C960, 140 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) : {3835360} normal block at 0x0000024F805AF2F0, 8 bytes long.
 Data: <  &#183; O   > 00 00 B7 80 4F 02 00 00 
{3834646} normal block at 0x0000024F8060CB00, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000024F805AF070, 8 bytes long.
 Data: < &#230;h O   > 00 E6 68 80 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000024F805B0760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024F805A56A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000024F805B5520, 16 bytes long.
 Data: < K[ O           > 18 4B 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024F805B5890, 16 bytes long.
 Data: <&#240;J[ O           > F0 4A 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024F805ADF40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000024F805B4CB0, 16 bytes long.
 Data: <&#200;J[ O           > C8 4A 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024F805B4C60, 16 bytes long.
 Data: <&#160;J[ O           > A0 4A 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024F805B5160, 16 bytes long.
 Data: <xJ[ O           > 78 4A 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024F805B5110, 16 bytes long.
 Data: <PJ[ O           > 50 4A 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024F805B3F60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000024F805B5840, 16 bytes long.
 Data: < &#133;Z O           > 08 85 5A 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024F805AE840, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000024F805B5070, 16 bytes long.
 Data: <&#224;&#132;Z O           > E0 84 5A 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024F805B5750, 16 bytes long.
 Data: <&#184;&#132;Z O           > B8 84 5A 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024F805B5700, 16 bytes long.
 Data: < &#132;Z O           > 90 84 5A 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024F805B5BB0, 16 bytes long.
 Data: <h&#132;Z O           > 68 84 5A 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024F805B51B0, 16 bytes long.
 Data: <@&#132;Z O           > 40 84 5A 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024F805B5B60, 16 bytes long.
 Data: < &#132;Z O           > 18 84 5A 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024F805AE1E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000024F805B4F30, 16 bytes long.
 Data: <&#240;&#131;Z O           > F0 83 5A 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024F805A83F0, 320 bytes long.
 Data: <0O[ O   &#224;&#225;Z O   > 30 4F 5B 80 4F 02 00 00 E0 E1 5A 80 4F 02 00 00 
{272} normal block at 0x0000024F805B5A20, 16 bytes long.
 Data: <0J[ O           > 30 4A 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024F805B4D50, 16 bytes long.
 Data: < J[ O           > 08 4A 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024F805AE480, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000024F805B5A70, 16 bytes long.
 Data: <&#224;I[ O           > E0 49 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024F805AE600, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000024F805B5020, 16 bytes long.
 Data: <(I[ O           > 28 49 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024F805B4D00, 16 bytes long.
 Data: < I[ O           > 00 49 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024F805B4FD0, 16 bytes long.
 Data: <&#216;H[ O           > D8 48 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024F805AECB0, 16 bytes long.
 Data: <&#176;H[ O           > B0 48 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024F805AEB70, 16 bytes long.
 Data: < H[ O           > 88 48 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024F805AEB20, 16 bytes long.
 Data: <`H[ O           > 60 48 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024F805AF930, 16 bytes long.
 Data: <PC[ O           > 50 43 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024F805B4350, 40 bytes long.
 Data: <0&#249;Z O   @&#191;,&#130;O   > 30 F9 5A 80 4F 02 00 00 40 BF 2C 82 4F 02 00 00 
{258} normal block at 0x0000024F805AF5C0, 16 bytes long.
 Data: <@H[ O           > 40 48 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024F805AF4D0, 16 bytes long.
 Data: < H[ O           > 18 48 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024F805AE6C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000024F805AF2A0, 16 bytes long.
 Data: <&#240;G[ O           > F0 47 5B 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024F805B47F0, 992 bytes long.
 Data: <&#160;&#242;Z O   &#192;&#230;Z O   > A0 F2 5A 80 4F 02 00 00 C0 E6 5A 80 4F 02 00 00 
{90} normal block at 0x0000024F805ADDC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000024F805AEF80, 16 bytes long.
 Data: <&#160;&#198;Y O           > A0 C6 59 80 4F 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000024F8059C6A0, 40 bytes long.
 Data: < &#239;Z O   &#192;&#221;Z O   > 80 EF 5A 80 4F 02 00 00 C0 DD 5A 80 4F 02 00 00 
{67} normal block at 0x0000024F805AF6B0, 16 bytes long.
 Data: < &#234;\7&#247;           > 80 EA 5C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024F805AED00, 16 bytes long.
 Data: <@&#233;\7&#247;           > 40 E9 5C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024F805AEC10, 16 bytes long.
 Data: <&#248;WY7&#247;           > F8 57 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024F805AF840, 16 bytes long.
 Data: <&#216;WY7&#247;           > D8 57 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024F805AEBC0, 16 bytes long.
 Data: <P Y7&#247;           > 50 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024F805AF020, 16 bytes long.
 Data: <0 Y7&#247;           > 30 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024F805AEC60, 16 bytes long.
 Data: <&#224; Y7&#247;           > E0 02 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024F805AEEE0, 16 bytes long.
 Data: <  Y7&#247;           > 10 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024F805AEFD0, 16 bytes long.
 Data: <p Y7&#247;           > 70 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024F805AF3E0, 16 bytes long.
 Data: < &#192;W7&#247;           > 18 C0 57 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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