Task 38675013

Name test_172-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND1659_0
Workunit 31617011
Created 26 Oct 2026, 7:00:00 UTC
Sent 26 Oct 2026, 7:00:02 UTC
Report deadline 31 Oct 2026, 7:00:02 UTC
Received 26 Oct 2026, 7:37:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580951
Run time 34 min 9 sec
CPU time 31 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,926.93 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.32 MB
Peak swap size 3.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
08:02:36 (1732): wrapper (7.9.26016): starting
08:02:36 (1732): 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
08:02:38 (1732): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:02:38 (1732): 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\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 'C:\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
08:35:06 (1732): C:/Windows/system32/cmd.exe exited; CPU time 1870.937500
08:35:06 (1732): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 31563585 bytes.
Dumping objects ->
{3835287} normal block at 0x000001919A490B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x000001919A491090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001919A4911E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835254} normal block at 0x000001919A491020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000001919A490CA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835212} normal block at 0x000001919A54ADD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001919A522C60, 145 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) : {3835198} normal block at 0x0000019198AD7A40, 8 bytes long.
 Data: <  &#169; &#145;   > 00 00 A9 98 91 01 00 00 
{3834558} normal block at 0x000001919A522920, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000019198AD7400, 8 bytes long.
 Data: <&#224;Kc&#154;&#145;   > E0 4B 63 9A 91 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000019198AE1040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019198ADD0D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000019198AE1F90, 16 bytes long.
 Data: <x2&#174; &#145;           > 78 32 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019198AE2990, 16 bytes long.
 Data: <P2&#174; &#145;           > 50 32 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019198ADE0C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000019198AE2120, 16 bytes long.
 Data: <(2&#174; &#145;           > 28 32 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019198AE22B0, 16 bytes long.
 Data: < 2&#174; &#145;           > 00 32 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019198AE27B0, 16 bytes long.
 Data: <&#216;1&#174; &#145;           > D8 31 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019198AE2710, 16 bytes long.
 Data: <&#176;1&#174; &#145;           > B0 31 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019198ADBBC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000019198AE20D0, 16 bytes long.
 Data: <h&#208;&#173; &#145;           > 68 D0 AD 98 91 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019198ADD7C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000019198AE26C0, 16 bytes long.
 Data: <@&#208;&#173; &#145;           > 40 D0 AD 98 91 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019198AE2620, 16 bytes long.
 Data: < &#208;&#173; &#145;           > 18 D0 AD 98 91 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019198AE2D50, 16 bytes long.
 Data: <&#240;&#207;&#173; &#145;           > F0 CF AD 98 91 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019198AE2760, 16 bytes long.
 Data: <&#200;&#207;&#173; &#145;           > C8 CF AD 98 91 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019198AE2260, 16 bytes long.
 Data: <&#160;&#207;&#173; &#145;           > A0 CF AD 98 91 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019198AE2E40, 16 bytes long.
 Data: <x&#207;&#173; &#145;           > 78 CF AD 98 91 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019198ADDBE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000019198AE2530, 16 bytes long.
 Data: <P&#207;&#173; &#145;           > 50 CF AD 98 91 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019198ADCF50, 320 bytes long.
 Data: <0%&#174; &#145;   &#224;&#219;&#173; &#145;   > 30 25 AE 98 91 01 00 00 E0 DB AD 98 91 01 00 00 
{270} normal block at 0x0000019198AE2170, 16 bytes long.
 Data: < 1&#174; &#145;           > 90 31 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019198AE2EE0, 16 bytes long.
 Data: <h1&#174; &#145;           > 68 31 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019198ADDA00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000019198AE21C0, 16 bytes long.
 Data: <@1&#174; &#145;           > 40 31 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019198ADDE20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000019198AE2B20, 16 bytes long.
 Data: < 0&#174; &#145;           > 88 30 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019198AE2CB0, 16 bytes long.
 Data: <`0&#174; &#145;           > 60 30 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019198AE2C60, 16 bytes long.
 Data: <80&#174; &#145;           > 38 30 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019198AE2E90, 16 bytes long.
 Data: < 0&#174; &#145;           > 10 30 AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019198AE25D0, 16 bytes long.
 Data: <&#232;/&#174; &#145;           > E8 2F AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019198AE2210, 16 bytes long.
 Data: <&#192;/&#174; &#145;           > C0 2F AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019198AE2580, 16 bytes long.
 Data: <&#208;&#190;&#173; &#145;           > D0 BE AD 98 91 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019198ADBED0, 40 bytes long.
 Data: < %&#174; &#145;   &#208;&#173;T&#154;&#145;   > 80 25 AE 98 91 01 00 00 D0 AD 54 9A 91 01 00 00 
{256} normal block at 0x0000019198AE2490, 16 bytes long.
 Data: <&#160;/&#174; &#145;           > A0 2F AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000019198AE2D00, 16 bytes long.
 Data: <x/&#174; &#145;           > 78 2F AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000019198ADDF40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000019198AE2DF0, 16 bytes long.
 Data: <P/&#174; &#145;           > 50 2F AE 98 91 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000019198AE2F50, 992 bytes long.
 Data: <&#240;-&#174; &#145;   @&#223;&#173; &#145;   > F0 2D AE 98 91 01 00 00 40 DF AD 98 91 01 00 00 
{88} normal block at 0x0000019198ADD2E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000019198AD76D0, 16 bytes long.
 Data: <&#240;&#189;&#173; &#145;           > F0 BD AD 98 91 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000019198ADBDF0, 40 bytes long.
 Data: <&#208;v&#173; &#145;   &#224;&#210;&#173; &#145;   > D0 76 AD 98 91 01 00 00 E0 D2 AD 98 91 01 00 00 
{65} normal block at 0x0000019198AD7360, 16 bytes long.
 Data: < &#234;&#149;L&#246;           > 80 EA 95 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019198AD7310, 16 bytes long.
 Data: <@&#233;&#149;L&#246;           > 40 E9 95 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019198AD7270, 16 bytes long.
 Data: <&#248;W&#146;L&#246;           > F8 57 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019198AD6FF0, 16 bytes long.
 Data: <&#216;W&#146;L&#246;           > D8 57 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019198AD6F50, 16 bytes long.
 Data: <P &#146;L&#246;           > 50 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019198AD7B80, 16 bytes long.
 Data: <0 &#146;L&#246;           > 30 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000019198AD6EB0, 16 bytes long.
 Data: <&#224; &#146;L&#246;           > E0 02 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000019198AD79A0, 16 bytes long.
 Data: <  &#146;L&#246;           > 10 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000019198AD73B0, 16 bytes long.
 Data: <p &#146;L&#246;           > 70 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000019198AD7630, 16 bytes long.
 Data: < &#192; L&#246;           > 18 C0 90 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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