Task 38676626

Name test_131-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2745_0
Workunit 31618529
Created 26 Oct 2026, 11:52:38 UTC
Sent 26 Oct 2026, 11:52:39 UTC
Report deadline 31 Oct 2026, 11:52:39 UTC
Received 26 Oct 2026, 13:05:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654844
Run time 34 min 15 sec
CPU time 30 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 683.49 MB
Peak swap size 2.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:30:29 (4132): wrapper (7.9.26016): starting
14:30:29 (4132): 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
14:30:31 (4132): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:30:31 (4132): 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 'G:\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 'G:\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
15:03:03 (4132): C:/Windows/system32/cmd.exe exited; CPU time 1835.421875
15:03:03 (4132): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 23034033 bytes.
Dumping objects ->
{3835451} normal block at 0x00000270F84D5670, 48 bytes long.
 Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x00000270F84D60F0, 48 bytes long.
 Data: <HOME=G:\ProgramD> 48 4F 4D 45 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x00000270F84D5AD0, 48 bytes long.
 Data: <TMP=G:\ProgramDa> 54 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x00000270F84D5440, 48 bytes long.
 Data: <TEMP=G:\ProgramD> 54 45 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x00000270F84D6010, 48 bytes long.
 Data: <TMPDIR=G:\Progra> 54 4D 50 44 49 52 3D 47 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x00000270F9F12D50, 64 bytes long.
 Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x00000270F84D6E60, 160 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) : {3835362} normal block at 0x00000270F84A64B0, 8 bytes long.
 Data: <  A&#248;p   > 00 00 41 F8 70 02 00 00 
{3834641} normal block at 0x00000270F84D6D80, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x00000270F84A6E10, 8 bytes long.
 Data: <  &#250;&#249;p   > 90 15 FA F9 70 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000270F84AFBC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000270F849B590, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000270F84B1790, 16 bytes long.
 Data: < 2K&#248;p           > 08 32 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000270F84B0E80, 16 bytes long.
 Data: <&#224;1K&#248;p           > E0 31 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000270F84ACED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x00000270F84B0FC0, 16 bytes long.
 Data: <&#184;1K&#248;p           > B8 31 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000270F84B0E30, 16 bytes long.
 Data: < 1K&#248;p           > 90 31 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000270F84B0D90, 16 bytes long.
 Data: <h1K&#248;p           > 68 31 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000270F84B11F0, 16 bytes long.
 Data: <@1K&#248;p           > 40 31 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000270F84AAF60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x00000270F84B0D40, 16 bytes long.
 Data: <8&#178;I&#248;p           > 38 B2 49 F8 70 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000270F84AC330, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x00000270F84B0CF0, 16 bytes long.
 Data: < &#178;I&#248;p           > 10 B2 49 F8 70 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000270F84B11A0, 16 bytes long.
 Data: <&#232;&#177;I&#248;p           > E8 B1 49 F8 70 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000270F84B0C50, 16 bytes long.
 Data: <&#192;&#177;I&#248;p           > C0 B1 49 F8 70 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000270F84B0C00, 16 bytes long.
 Data: < &#177;I&#248;p           > 98 B1 49 F8 70 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000270F84B1920, 16 bytes long.
 Data: <p&#177;I&#248;p           > 70 B1 49 F8 70 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000270F84B18D0, 16 bytes long.
 Data: <H&#177;I&#248;p           > 48 B1 49 F8 70 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000270F84AC090, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x00000270F84B0B10, 16 bytes long.
 Data: < &#177;I&#248;p           > 20 B1 49 F8 70 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000270F849B120, 320 bytes long.
 Data: <  K&#248;p    &#192;J&#248;p   > 10 0B 4B F8 70 02 00 00 90 C0 4A F8 70 02 00 00 
{268} normal block at 0x00000270F84B1560, 16 bytes long.
 Data: < 1K&#248;p           > 20 31 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000270F84B0F20, 16 bytes long.
 Data: <&#248;0K&#248;p           > F8 30 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000270F84AC6F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000270F84B1880, 16 bytes long.
 Data: <&#208;0K&#248;p           > D0 30 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000270F84ACB10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000270F84B1740, 16 bytes long.
 Data: < 0K&#248;p           > 18 30 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000270F84B1330, 16 bytes long.
 Data: <&#240;/K&#248;p           > F0 2F 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000270F84B13D0, 16 bytes long.
 Data: <&#200;/K&#248;p           > C8 2F 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000270F84B1150, 16 bytes long.
 Data: <&#160;/K&#248;p           > A0 2F 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000270F84B0ED0, 16 bytes long.
 Data: <x/K&#248;p           > 78 2F 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000270F84B0BB0, 16 bytes long.
 Data: <P/K&#248;p           > 50 2F 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000270F84B1A60, 16 bytes long.
 Data: <&#240;&#174;J&#248;p           > F0 AE 4A F8 70 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000270F84AAEF0, 40 bytes long.
 Data: <` K&#248;p   P-&#241;&#249;p   > 60 1A 4B F8 70 02 00 00 50 2D F1 F9 70 02 00 00 
{254} normal block at 0x00000270F84B0CA0, 16 bytes long.
 Data: <0/K&#248;p           > 30 2F 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000270F84B1100, 16 bytes long.
 Data: < /K&#248;p           > 08 2F 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000270F84ACAB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x00000270F84B12E0, 16 bytes long.
 Data: <&#224;.K&#248;p           > E0 2E 4B F8 70 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000270F84B2EE0, 992 bytes long.
 Data: <&#224; K&#248;p   &#176;&#202;J&#248;p   > E0 12 4B F8 70 02 00 00 B0 CA 4A F8 70 02 00 00 
{86} normal block at 0x00000270F84AC9F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000270F84A6DC0, 16 bytes long.
 Data: < &#174;J&#248;p           > 80 AE 4A F8 70 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000270F84AAE80, 40 bytes long.
 Data: <&#192;mJ&#248;p   &#240;&#201;J&#248;p   > C0 6D 4A F8 70 02 00 00 F0 C9 4A F8 70 02 00 00 
{63} normal block at 0x00000270F84A6690, 16 bytes long.
 Data: < &#234;"&#209;&#246;           > 80 EA 22 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000270F84A6820, 16 bytes long.
 Data: <@&#233;"&#209;&#246;           > 40 E9 22 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000270F84A6CD0, 16 bytes long.
 Data: <&#248;W &#209;&#246;           > F8 57 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000270F84A6C80, 16 bytes long.
 Data: <&#216;W &#209;&#246;           > D8 57 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000270F84A61E0, 16 bytes long.
 Data: <P  &#209;&#246;           > 50 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000270F84A69B0, 16 bytes long.
 Data: <0  &#209;&#246;           > 30 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000270F84A6190, 16 bytes long.
 Data: <&#224;  &#209;&#246;           > E0 02 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000270F84A6FA0, 16 bytes long.
 Data: <   &#209;&#246;           > 10 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000270F84A6370, 16 bytes long.
 Data: <p  &#209;&#246;           > 70 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000270F84A6640, 16 bytes long.
 Data: < &#192; &#209;&#246;           > 18 C0 1D D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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