Task 38686132

Name test_16-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND9582_1
Workunit 31627566
Created 28 Oct 2026, 0:50:49 UTC
Sent 28 Oct 2026, 0:50:52 UTC
Report deadline 2 Nov 2026, 0:50:52 UTC
Received 28 Oct 2026, 1:39:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 198644
Run time 47 min 15 sec
CPU time 46 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.35 MB
Peak swap size 12.99 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:52:08 (11064): wrapper (7.9.26016): starting
17:52:08 (11064): 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
17:52:09 (11064): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:52:09 (11064): 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\1\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\1\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
18:38:23 (11064): C:/Windows/system32/cmd.exe exited; CPU time 2810.593750
18:38:23 (11064): 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: 31138981 bytes.
Dumping objects ->
{3835314} normal block at 0x000001F2C91E4640, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x000001F2C91E4480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835292} normal block at 0x000001F2C91E4410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835281} normal block at 0x000001F2C91E43A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x000001F2C91E45D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835239} normal block at 0x000001F2CB00ADB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001F2CB01E650, 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) : {3835225} normal block at 0x000001F2C91DE830, 8 bytes long.
 Data: <  k&#201;&#242;   > 00 00 6B C9 F2 01 00 00 
{3834574} normal block at 0x000001F2CB01E700, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001F2C91DE600, 8 bytes long.
 Data: < &#235;+&#201;&#242;   > 80 EB 2B C9 F2 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F2C91E0670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F2C91CE070, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001F2C91E5AD0, 16 bytes long.
 Data: <8a &#201;&#242;           > 38 61 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F2C91E5CB0, 16 bytes long.
 Data: < a &#201;&#242;           > 10 61 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F2C91DF940, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001F2C91E5760, 16 bytes long.
 Data: <&#232;` &#201;&#242;           > E8 60 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F2C91E5120, 16 bytes long.
 Data: <&#192;` &#201;&#242;           > C0 60 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F2C91E5490, 16 bytes long.
 Data: < ` &#201;&#242;           > 98 60 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F2C91E55D0, 16 bytes long.
 Data: <p` &#201;&#242;           > 70 60 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F2C91E4720, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001F2C91E4FE0, 16 bytes long.
 Data: <&#232;&#253; &#201;&#242;           > E8 FD 1C C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F2C91DF220, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001F2C91E57B0, 16 bytes long.
 Data: <&#192;&#253; &#201;&#242;           > C0 FD 1C C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F2C91E5C10, 16 bytes long.
 Data: < &#253; &#201;&#242;           > 98 FD 1C C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F2C91E5670, 16 bytes long.
 Data: <p&#253; &#201;&#242;           > 70 FD 1C C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F2C91E5DA0, 16 bytes long.
 Data: <H&#253; &#201;&#242;           > 48 FD 1C C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F2C91E5300, 16 bytes long.
 Data: < &#253; &#201;&#242;           > 20 FD 1C C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F2C91E5B20, 16 bytes long.
 Data: <&#248;&#252; &#201;&#242;           > F8 FC 1C C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F2C91DFA00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001F2C91E56C0, 16 bytes long.
 Data: <&#208;&#252; &#201;&#242;           > D0 FC 1C C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F2C91CFCD0, 320 bytes long.
 Data: <&#192;V &#201;&#242;    &#250; &#201;&#242;   > C0 56 1E C9 F2 01 00 00 00 FA 1D C9 F2 01 00 00 
{274} normal block at 0x000001F2C91E53F0, 16 bytes long.
 Data: <P` &#201;&#242;           > 50 60 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F2C91E5260, 16 bytes long.
 Data: <(` &#201;&#242;           > 28 60 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F2C91DFAC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001F2C91E5850, 16 bytes long.
 Data: < ` &#201;&#242;           > 00 60 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F2C91DF3A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001F2C91E5710, 16 bytes long.
 Data: <H_ &#201;&#242;           > 48 5F 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F2C91E5210, 16 bytes long.
 Data: < _ &#201;&#242;           > 20 5F 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F2C91E4EF0, 16 bytes long.
 Data: <&#248;^ &#201;&#242;           > F8 5E 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F2C91E4F90, 16 bytes long.
 Data: <&#208;^ &#201;&#242;           > D0 5E 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F2C91E5A80, 16 bytes long.
 Data: <&#168;^ &#201;&#242;           > A8 5E 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F2C91E5C60, 16 bytes long.
 Data: < ^ &#201;&#242;           > 80 5E 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F2C91E5A30, 16 bytes long.
 Data: <pA &#201;&#242;           > 70 41 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F2C91E4170, 40 bytes long.
 Data: <0Z &#201;&#242;   &#176;&#173; &#203;&#242;   > 30 5A 1E C9 F2 01 00 00 B0 AD 00 CB F2 01 00 00 
{260} normal block at 0x000001F2C91E5350, 16 bytes long.
 Data: <`^ &#201;&#242;           > 60 5E 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F2C91E5D50, 16 bytes long.
 Data: <8^ &#201;&#242;           > 38 5E 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F2C91DF580, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001F2C91E5440, 16 bytes long.
 Data: < ^ &#201;&#242;           > 10 5E 1E C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F2C91E5E10, 992 bytes long.
 Data: <@T &#201;&#242;    &#245; &#201;&#242;   > 40 54 1E C9 F2 01 00 00 80 F5 1D C9 F2 01 00 00 
{92} normal block at 0x000001F2C91DF880, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001F2C91DE150, 16 bytes long.
 Data: <`&#252; &#201;&#242;           > 60 FC 1C C9 F2 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F2C91CFC60, 40 bytes long.
 Data: <P&#225; &#201;&#242;    &#248; &#201;&#242;   > 50 E1 1D C9 F2 01 00 00 80 F8 1D C9 F2 01 00 00 
{69} normal block at 0x000001F2C91DED80, 16 bytes long.
 Data: < &#234;T &#247;           > 80 EA 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F2C91DEBA0, 16 bytes long.
 Data: <@&#233;T &#247;           > 40 E9 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F2C91DE790, 16 bytes long.
 Data: <&#248;WQ &#247;           > F8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F2C91DF0A0, 16 bytes long.
 Data: <&#216;WQ &#247;           > D8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F2C91DE560, 16 bytes long.
 Data: <P Q &#247;           > 50 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F2C91DE470, 16 bytes long.
 Data: <0 Q &#247;           > 30 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F2C91DEE20, 16 bytes long.
 Data: <&#224; Q &#247;           > E0 02 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F2C91DEEC0, 16 bytes long.
 Data: <  Q &#247;           > 10 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F2C91DEF60, 16 bytes long.
 Data: <p Q &#247;           > 70 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F2C91DEC40, 16 bytes long.
 Data: < &#192;O &#247;           > 18 C0 4F 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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