Task 38677585

Name test_684-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1343_1
Workunit 31619342
Created 26 Oct 2026, 14:45:54 UTC
Sent 26 Oct 2026, 14:45:55 UTC
Report deadline 31 Oct 2026, 14:45:55 UTC
Received 26 Oct 2026, 15:11:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 24 min 44 sec
CPU time 21 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 112,285.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.58 MB
Peak swap size 13.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:47:36 (15784): wrapper (7.9.26016): starting
14:47:36 (15784): 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
14:47:37 (15784): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:47:37 (15784): 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:\Boinc\data\slots\9\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:\Boinc\data\slots\9\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
15:10:47 (15784): C:/Windows/system32/cmd.exe exited; CPU time 1294.531250
15:10:47 (15784): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 34028090 bytes.
Dumping objects ->
{3835279} normal block at 0x000001698F1F6C90, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835268} normal block at 0x0000016990F01AD0, 32 bytes long.
 Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835257} normal block at 0x0000016990F01EF0, 32 bytes long.
 Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74 
{3835246} normal block at 0x0000016990F01950, 32 bytes long.
 Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835235} normal block at 0x0000016990F00B10, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835204} normal block at 0x000001698F1F6AD0, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835193} normal block at 0x0000016990ECE480, 85 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) : {3835190} normal block at 0x000001698F1EF0A0, 8 bytes long.
 Data: <  ^ i   > 00 00 5E 8F 69 01 00 00 
{3834567} normal block at 0x0000016990ECEA20, 85 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 0x000001698F1EE920, 8 bytes long.
 Data: <&#224;H&#244; i   > E0 48 F4 90 69 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001698F1F1070, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001698F1DE810, 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 0x000001698F1F76D0, 16 bytes long.
 Data: <&#248;   i           > F8 80 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001698F1F78B0, 16 bytes long.
 Data: <&#208;   i           > D0 80 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001698F1EFB40, 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 0x000001698F1F7B30, 16 bytes long.
 Data: <&#168;   i           > A8 80 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001698F1F7680, 16 bytes long.
 Data: <    i           > 80 80 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001698F1F7130, 16 bytes long.
 Data: <X   i           > 58 80 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001698F1F7AE0, 16 bytes long.
 Data: <0   i           > 30 80 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001698F1F6670, 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 0x000001698F1F7CC0, 16 bytes long.
 Data: <&#216;&#244;  i           > D8 F4 1D 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001698F1EFBA0, 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 0x000001698F1F7A40, 16 bytes long.
 Data: <&#176;&#244;  i           > B0 F4 1D 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001698F1F7630, 16 bytes long.
 Data: < &#244;  i           > 88 F4 1D 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001698F1F7310, 16 bytes long.
 Data: <`&#244;  i           > 60 F4 1D 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001698F1F70E0, 16 bytes long.
 Data: <8&#244;  i           > 38 F4 1D 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001698F1F75E0, 16 bytes long.
 Data: < &#244;  i           > 10 F4 1D 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001698F1F6E10, 16 bytes long.
 Data: <&#232;&#243;  i           > E8 F3 1D 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001698F1EFAE0, 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 0x000001698F1F72C0, 16 bytes long.
 Data: <&#192;&#243;  i           > C0 F3 1D 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001698F1DF3C0, 320 bytes long.
 Data: <&#192;r  i   &#224;&#250;  i   > C0 72 1F 8F 69 01 00 00 E0 FA 1E 8F 69 01 00 00 
{276} normal block at 0x000001698F1F7D10, 16 bytes long.
 Data: <    i           > 10 80 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001698F1F79A0, 16 bytes long.
 Data: <&#232;   i           > E8 7F 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001698F1EF8A0, 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 0x000001698F1F7040, 16 bytes long.
 Data: <&#192;   i           > C0 7F 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001698F1EFD20, 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 0x000001698F1F6F00, 16 bytes long.
 Data: <    i           > 08 7F 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001698F1F79F0, 16 bytes long.
 Data: <&#224;~  i           > E0 7E 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001698F1F7860, 16 bytes long.
 Data: <&#184;~  i           > B8 7E 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001698F1F7A90, 16 bytes long.
 Data: < ~  i           > 90 7E 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001698F1F6EB0, 16 bytes long.
 Data: <h~  i           > 68 7E 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001698F1F6E60, 16 bytes long.
 Data: <@~  i           > 40 7E 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001698F1F7540, 16 bytes long.
 Data: < f  i           > 00 66 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001698F1F6600, 40 bytes long.
 Data: <@u  i   &#208;j  i   > 40 75 1F 8F 69 01 00 00 D0 6A 1F 8F 69 01 00 00 
{262} normal block at 0x000001698F1F7590, 16 bytes long.
 Data: < ~  i           > 20 7E 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001698F1F7450, 16 bytes long.
 Data: <&#248;}  i           > F8 7D 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001698F1F0080, 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 0x000001698F1F7180, 16 bytes long.
 Data: <&#208;}  i           > D0 7D 1F 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001698F1F7DD0, 992 bytes long.
 Data: < q  i       i   > 80 71 1F 8F 69 01 00 00 80 00 1F 8F 69 01 00 00 
{94} normal block at 0x000001698F1EFA20, 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 0x000001698F1EEB50, 16 bytes long.
 Data: <P&#212;  i           > 50 D4 1D 8F 69 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001698F1DD450, 40 bytes long.
 Data: <P&#235;  i    &#250;  i   > 50 EB 1E 8F 69 01 00 00 20 FA 1E 8F 69 01 00 00 
{71} normal block at 0x000001698F1EE9C0, 16 bytes long.
 Data: < &#234;P&#197;&#247;           > 80 EA 50 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001698F1EF320, 16 bytes long.
 Data: <@&#233;P&#197;&#247;           > 40 E9 50 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001698F1EF3C0, 16 bytes long.
 Data: <&#248;WM&#197;&#247;           > F8 57 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001698F1EF370, 16 bytes long.
 Data: <&#216;WM&#197;&#247;           > D8 57 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001698F1EEF10, 16 bytes long.
 Data: <P M&#197;&#247;           > 50 04 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001698F1EEBF0, 16 bytes long.
 Data: <0 M&#197;&#247;           > 30 04 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001698F1EED80, 16 bytes long.
 Data: <&#224; M&#197;&#247;           > E0 02 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001698F1EF190, 16 bytes long.
 Data: <  M&#197;&#247;           > 10 04 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001698F1EEB00, 16 bytes long.
 Data: <p M&#197;&#247;           > 70 04 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001698F1EF4B0, 16 bytes long.
 Data: < &#192;K&#197;&#247;           > 18 C0 4B C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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