Task 38683024

Name test_375-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8953_0
Workunit 31624609
Created 27 Oct 2026, 10:06:22 UTC
Sent 27 Oct 2026, 10:06:23 UTC
Report deadline 1 Nov 2026, 10:06:23 UTC
Received 27 Oct 2026, 11:41:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629467
Run time 1 hours 18 min 46 sec
CPU time 1 hours 9 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,189.73 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.15 MB
Peak swap size 5.25 GB
Peak disk usage 3.32 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:25:39 (24616): wrapper (7.9.26016): starting
03:25:39 (24616): 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
03:25:42 (24616): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:25:42 (24616): 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\12\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\12\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
04:41:02 (24616): C:/Windows/system32/cmd.exe exited; CPU time 4164.671875
04:41:02 (24616): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 79558881 bytes.
Dumping objects ->
{3835230} normal block at 0x0000029BDAC7CD20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x0000029BD8F350C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000029BD8F35050, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x0000029BD8F34FE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000029BD8F34E90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x0000029BDACC57D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x0000029BD8F8DD40, 141 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) : {3835141} normal block at 0x0000029BD8F2FBB0, 8 bytes long.
 Data: <  B&#217;&#155;   > 00 00 42 D9 9B 02 00 00 
{3834541} normal block at 0x0000029BD8F8D1E0, 141 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 0x0000029BD8F2F930, 8 bytes long.
 Data: <&#208;T&#210;&#218;&#155;   > D0 54 D2 DA 9B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000029BD8F2E540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029BD8F26830, 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 0x0000029BD8F36290, 16 bytes long.
 Data: < \&#243;&#216;&#155;           > 98 5C F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029BD8F36C90, 16 bytes long.
 Data: <p\&#243;&#216;&#155;           > 70 5C F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029BD8F30270, 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 0x0000029BD8F36240, 16 bytes long.
 Data: <H\&#243;&#216;&#155;           > 48 5C F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029BD8F36740, 16 bytes long.
 Data: < \&#243;&#216;&#155;           > 20 5C F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029BD8F36510, 16 bytes long.
 Data: <&#248;[&#243;&#216;&#155;           > F8 5B F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029BD8F36BA0, 16 bytes long.
 Data: <&#208;[&#243;&#216;&#155;           > D0 5B F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029BD8F34F70, 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 0x0000029BD8F365B0, 16 bytes long.
 Data: <&#248;&#245;&#241;&#216;&#155;           > F8 F5 F1 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029BD8F30CF0, 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 0x0000029BD8F35FC0, 16 bytes long.
 Data: <&#208;&#245;&#241;&#216;&#155;           > D0 F5 F1 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029BD8F364C0, 16 bytes long.
 Data: <&#168;&#245;&#241;&#216;&#155;           > A8 F5 F1 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029BD8F369C0, 16 bytes long.
 Data: < &#245;&#241;&#216;&#155;           > 80 F5 F1 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029BD8F36420, 16 bytes long.
 Data: <X&#245;&#241;&#216;&#155;           > 58 F5 F1 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029BD8F36B50, 16 bytes long.
 Data: <0&#245;&#241;&#216;&#155;           > 30 F5 F1 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029BD8F36920, 16 bytes long.
 Data: < &#245;&#241;&#216;&#155;           > 08 F5 F1 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029BD8F2FEB0, 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 0x0000029BD8F36CE0, 16 bytes long.
 Data: <&#224;&#244;&#241;&#216;&#155;           > E0 F4 F1 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029BD8F1F4E0, 320 bytes long.
 Data: <&#224;l&#243;&#216;&#155;   &#176;&#254;&#242;&#216;&#155;   > E0 6C F3 D8 9B 02 00 00 B0 FE F2 D8 9B 02 00 00 
{275} normal block at 0x0000029BD8F36790, 16 bytes long.
 Data: <&#176;[&#243;&#216;&#155;           > B0 5B F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029BD8F35DE0, 16 bytes long.
 Data: < [&#243;&#216;&#155;           > 88 5B F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029BD8F302D0, 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 0x0000029BD8F36AB0, 16 bytes long.
 Data: <`[&#243;&#216;&#155;           > 60 5B F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029BD8F30B70, 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 0x0000029BD8F36B00, 16 bytes long.
 Data: <&#168;Z&#243;&#216;&#155;           > A8 5A F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029BD8F35E80, 16 bytes long.
 Data: < Z&#243;&#216;&#155;           > 80 5A F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029BD8F35F70, 16 bytes long.
 Data: <XZ&#243;&#216;&#155;           > 58 5A F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029BD8F36A10, 16 bytes long.
 Data: <0Z&#243;&#216;&#155;           > 30 5A F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029BD8F363D0, 16 bytes long.
 Data: < Z&#243;&#216;&#155;           > 08 5A F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029BD8F2F4D0, 16 bytes long.
 Data: <&#224;Y&#243;&#216;&#155;           > E0 59 F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029BD8F2F8E0, 16 bytes long.
 Data: <&#160;Q&#243;&#216;&#155;           > A0 51 F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029BD8F351A0, 40 bytes long.
 Data: <&#224;&#248;&#242;&#216;&#155;   &#208;W&#204;&#218;&#155;   > E0 F8 F2 D8 9B 02 00 00 D0 57 CC DA 9B 02 00 00 
{261} normal block at 0x0000029BD8F2F890, 16 bytes long.
 Data: <&#192;Y&#243;&#216;&#155;           > C0 59 F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029BD8F2F340, 16 bytes long.
 Data: < Y&#243;&#216;&#155;           > 98 59 F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029BD8F30C90, 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 0x0000029BD8F2FB60, 16 bytes long.
 Data: <pY&#243;&#216;&#155;           > 70 59 F3 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000029BD8F35970, 992 bytes long.
 Data: <`&#251;&#242;&#216;&#155;     &#243;&#216;&#155;   > 60 FB F2 D8 9B 02 00 00 90 0C F3 D8 9B 02 00 00 
{93} normal block at 0x0000029BD8F307B0, 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 0x0000029BD8F2F5C0, 16 bytes long.
 Data: < &#232;&#241;&#216;&#155;           > 90 E8 F1 D8 9B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000029BD8F1E890, 40 bytes long.
 Data: <&#192;&#245;&#242;&#216;&#155;   &#176; &#243;&#216;&#155;   > C0 F5 F2 D8 9B 02 00 00 B0 07 F3 D8 9B 02 00 00 
{70} normal block at 0x0000029BD8F2F2A0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 00 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029BD8F2FA20, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 00 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029BD8F2FC50, 16 bytes long.
 Data: <&#248;W&#253; &#247;           > F8 57 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029BD8F2F750, 16 bytes long.
 Data: <&#216;W&#253; &#247;           > D8 57 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029BD8F2F9D0, 16 bytes long.
 Data: <P &#253; &#247;           > 50 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029BD8F2F7F0, 16 bytes long.
 Data: <0 &#253; &#247;           > 30 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029BD8F2FAC0, 16 bytes long.
 Data: <&#224; &#253; &#247;           > E0 02 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029BD8F2FCF0, 16 bytes long.
 Data: <  &#253; &#247;           > 10 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029BD8F2FB10, 16 bytes long.
 Data: <p &#253; &#247;           > 70 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029BD8F2F840, 16 bytes long.
 Data: < &#192;&#251; &#247;           > 18 C0 FB 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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