Task 38683421

Name test_224-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8802_0
Workunit 31624979
Created 27 Oct 2026, 11:47:08 UTC
Sent 27 Oct 2026, 11:47:09 UTC
Report deadline 1 Nov 2026, 11:47:09 UTC
Received 27 Oct 2026, 12:16:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 523908
Run time 29 min 2 sec
CPU time 27 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.33 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
12:47:55 (2744): wrapper (7.9.26016): starting
12:47:55 (2744): 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
12:47:57 (2744): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:47:57 (2744): 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\2\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\2\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
13:16:18 (2744): C:/Windows/system32/cmd.exe exited; CPU time 1651.015625
13:16:18 (2744): 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: 22539569 bytes.
Dumping objects ->
{3835235} normal block at 0x0000020031E3F190, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x0000020031E3F970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000020031E3F5F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x0000020031E3F900, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x00000200301E69D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x0000020031E89FB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x0000020031EA0590, 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) : {3835146} normal block at 0x00000200301E0E00, 8 bytes long.
 Data: <  h0    > 00 00 68 30 00 02 00 00 
{3834542} normal block at 0x0000020031E9FF60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000200301E1260, 8 bytes long.
 Data: <P;&#241;1    > 50 3B F1 31 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000200301E2A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000200301D86F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000200301E70E0, 16 bytes long.
 Data: <H  0            > 48 81 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000200301E7630, 16 bytes long.
 Data: <   0            > 20 81 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000200301E1A00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000200301E7D60, 16 bytes long.
 Data: <&#248;  0            > F8 80 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000200301E72C0, 16 bytes long.
 Data: <&#208;  0            > D0 80 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000200301E7950, 16 bytes long.
 Data: <&#168;  0            > A8 80 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000200301E7040, 16 bytes long.
 Data: <   0            > 80 80 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000200301E6B90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000200301E7D10, 16 bytes long.
 Data: <H&#173; 0            > 48 AD 1D 30 00 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000200301E1700, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000200301E7680, 16 bytes long.
 Data: < &#173; 0            > 20 AD 1D 30 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000200301E78B0, 16 bytes long.
 Data: <&#248;&#172; 0            > F8 AC 1D 30 00 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000200301E6FF0, 16 bytes long.
 Data: <&#208;&#172; 0            > D0 AC 1D 30 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000200301E7540, 16 bytes long.
 Data: <&#168;&#172; 0            > A8 AC 1D 30 00 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000200301E7B80, 16 bytes long.
 Data: < &#172; 0            > 80 AC 1D 30 00 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000200301E74A0, 16 bytes long.
 Data: <X&#172; 0            > 58 AC 1D 30 00 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000200301E1760, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000200301E6FA0, 16 bytes long.
 Data: <0&#172; 0            > 30 AC 1D 30 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000200301DAC30, 320 bytes long.
 Data: <&#160;o 0    `  0    > A0 6F 1E 30 00 02 00 00 60 17 1E 30 00 02 00 00 
{276} normal block at 0x00000200301E7860, 16 bytes long.
 Data: <`  0            > 60 80 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000200301E7090, 16 bytes long.
 Data: <8  0            > 38 80 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000200301E2480, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000200301E6EB0, 16 bytes long.
 Data: <   0            > 10 80 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000200301E19A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000200301E7DB0, 16 bytes long.
 Data: <X  0            > 58 7F 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000200301E7180, 16 bytes long.
 Data: <0  0            > 30 7F 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000200301E7130, 16 bytes long.
 Data: <   0            > 08 7F 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000200301E7810, 16 bytes long.
 Data: <&#224;~ 0            > E0 7E 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000200301E7310, 16 bytes long.
 Data: <&#184;~ 0            > B8 7E 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000200301E7CC0, 16 bytes long.
 Data: < ~ 0            > 90 7E 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000200301E7BD0, 16 bytes long.
 Data: <pl 0            > 70 6C 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000200301E6C70, 40 bytes long.
 Data: <&#208;{ 0    &#176;&#159;&#232;1    > D0 7B 1E 30 00 02 00 00 B0 9F E8 31 00 02 00 00 
{262} normal block at 0x00000200301E7C20, 16 bytes long.
 Data: <p~ 0            > 70 7E 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000200301E6F50, 16 bytes long.
 Data: <H~ 0            > 48 7E 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000200301E2420, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000200301E6F00, 16 bytes long.
 Data: < ~ 0            > 20 7E 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000200301E7E20, 992 bytes long.
 Data: < o 0     $ 0    > 00 6F 1E 30 00 02 00 00 20 24 1E 30 00 02 00 00 
{94} normal block at 0x00000200301E1DC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000200301E09F0, 16 bytes long.
 Data: <0g 0            > 30 67 1E 30 00 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000200301E6730, 40 bytes long.
 Data: <&#240;	 0    &#192;  0    > F0 09 1E 30 00 02 00 00 C0 1D 1E 30 00 02 00 00 
{71} normal block at 0x00000200301E1300, 16 bytes long.
 Data: < &#234;&#204; &#247;           > 80 EA CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000200301E0950, 16 bytes long.
 Data: <@&#233;&#204; &#247;           > 40 E9 CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000200301E1530, 16 bytes long.
 Data: <&#248;W&#201; &#247;           > F8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000200301E14E0, 16 bytes long.
 Data: <&#216;W&#201; &#247;           > D8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000200301E0EF0, 16 bytes long.
 Data: <P &#201; &#247;           > 50 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000200301E0770, 16 bytes long.
 Data: <0 &#201; &#247;           > 30 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000200301E0D60, 16 bytes long.
 Data: <&#224; &#201; &#247;           > E0 02 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000200301E0680, 16 bytes long.
 Data: <  &#201; &#247;           > 10 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000200301E1080, 16 bytes long.
 Data: <p &#201; &#247;           > 70 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000200301E0FE0, 16 bytes long.
 Data: < &#192;&#199; &#247;           > 18 C0 C7 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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