Task 38698881

Name test_955-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND9927_1
Workunit 31639347
Created 3 Nov 2026, 5:50:21 UTC
Sent 3 Nov 2026, 5:50:26 UTC
Report deadline 8 Nov 2026, 5:50:26 UTC
Received 3 Nov 2026, 6:50:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 621160
Run time 59 min 54 sec
CPU time 29 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 3,939.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.45 MB
Peak swap size 3.70 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:51:41 (12592): wrapper (7.9.26016): starting
00:51:41 (12592): 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
00:51:42 (12592): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:51:42 (12592): 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
01:50:27 (12592): C:/Windows/system32/cmd.exe exited; CPU time 1756.093750
01:50:27 (12592): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 64447973 bytes.
Dumping objects ->
{3835240} normal block at 0x000002409707F2C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002409707F100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002409707FBF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x0000024095562700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000024095562690, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x0000024097075560, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000240955AE460, 141 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) : {3835151} normal block at 0x000002409555C380, 8 bytes long.
 Data: <  &#227;&#150;@   > 00 00 E3 96 40 02 00 00 
{3834544} normal block at 0x00000240955AE050, 141 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 0x000002409555C240, 8 bytes long.
 Data: <&#160;&#207; &#151;@   > A0 CF 08 97 40 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000024095554DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002409554AB10, 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 0x00000240955640F0, 16 bytes long.
 Data: < PV&#149;@           > 18 50 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024095564BE0, 16 bytes long.
 Data: <&#240;OV&#149;@           > F0 4F 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002409555D230, 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 0x0000024095564000, 16 bytes long.
 Data: <&#200;OV&#149;@           > C8 4F 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024095564280, 16 bytes long.
 Data: <&#160;OV&#149;@           > A0 4F 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024095564B90, 16 bytes long.
 Data: <xOV&#149;@           > 78 4F 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024095564230, 16 bytes long.
 Data: <POV&#149;@           > 50 4F 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000240955623F0, 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 0x0000024095564AA0, 16 bytes long.
 Data: <h&#230;T&#149;@           > 68 E6 54 95 40 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002409555D830, 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 0x0000024095564A50, 16 bytes long.
 Data: <@&#230;T&#149;@           > 40 E6 54 95 40 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024095564460, 16 bytes long.
 Data: < &#230;T&#149;@           > 18 E6 54 95 40 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000240955640A0, 16 bytes long.
 Data: <&#240;&#229;T&#149;@           > F0 E5 54 95 40 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000240955641E0, 16 bytes long.
 Data: <&#200;&#229;T&#149;@           > C8 E5 54 95 40 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024095564190, 16 bytes long.
 Data: <&#160;&#229;T&#149;@           > A0 E5 54 95 40 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000240955647D0, 16 bytes long.
 Data: <x&#229;T&#149;@           > 78 E5 54 95 40 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002409555D950, 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 0x0000024095564780, 16 bytes long.
 Data: <P&#229;T&#149;@           > 50 E5 54 95 40 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002409554E550, 320 bytes long.
 Data: < GV&#149;@   P&#217;U&#149;@   > 80 47 56 95 40 02 00 00 50 D9 55 95 40 02 00 00 
{270} normal block at 0x0000024095564C30, 16 bytes long.
 Data: <0OV&#149;@           > 30 4F 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024095564050, 16 bytes long.
 Data: < OV&#149;@           > 08 4F 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002409555D110, 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 0x00000240955642D0, 16 bytes long.
 Data: <&#224;NV&#149;@           > E0 4E 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002409555DCB0, 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 0x0000024095564690, 16 bytes long.
 Data: <(NV&#149;@           > 28 4E 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000240955645F0, 16 bytes long.
 Data: < NV&#149;@           > 00 4E 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024095564730, 16 bytes long.
 Data: <&#216;MV&#149;@           > D8 4D 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024095564A00, 16 bytes long.
 Data: <&#176;MV&#149;@           > B0 4D 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024095563D80, 16 bytes long.
 Data: < MV&#149;@           > 88 4D 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000240955645A0, 16 bytes long.
 Data: <`MV&#149;@           > 60 4D 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024095563EC0, 16 bytes long.
 Data: <&#224; V&#149;@           > E0 20 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000240955620E0, 40 bytes long.
 Data: <&#192;>V&#149;@   `U &#151;@   > C0 3E 56 95 40 02 00 00 60 55 07 97 40 02 00 00 
{256} normal block at 0x0000024095563F10, 16 bytes long.
 Data: <@MV&#149;@           > 40 4D 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000240955646E0, 16 bytes long.
 Data: < MV&#149;@           > 18 4D 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002409555D1D0, 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 0x00000240955649B0, 16 bytes long.
 Data: <&#240;LV&#149;@           > F0 4C 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000024095564CF0, 992 bytes long.
 Data: <&#176;IV&#149;@   &#208;&#209;U&#149;@   > B0 49 56 95 40 02 00 00 D0 D1 55 95 40 02 00 00 
{88} normal block at 0x000002409555D710, 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 0x000002409555CE70, 16 bytes long.
 Data: < #V&#149;@           > 10 23 56 95 40 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000024095562310, 40 bytes long.
 Data: <p&#206;U&#149;@    &#215;U&#149;@   > 70 CE 55 95 40 02 00 00 10 D7 55 95 40 02 00 00 
{65} normal block at 0x000002409555C4C0, 16 bytes long.
 Data: < &#234; C&#246;           > 80 EA 99 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002409555C790, 16 bytes long.
 Data: <@&#233; C&#246;           > 40 E9 99 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002409555C2E0, 16 bytes long.
 Data: <&#248;W&#150;C&#246;           > F8 57 96 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002409555C330, 16 bytes long.
 Data: <&#216;W&#150;C&#246;           > D8 57 96 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002409555CB00, 16 bytes long.
 Data: <P &#150;C&#246;           > 50 04 96 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002409555C880, 16 bytes long.
 Data: <0 &#150;C&#246;           > 30 04 96 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002409555C830, 16 bytes long.
 Data: <&#224; &#150;C&#246;           > E0 02 96 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002409555CEC0, 16 bytes long.
 Data: <  &#150;C&#246;           > 10 04 96 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002409555C1A0, 16 bytes long.
 Data: <p &#150;C&#246;           > 70 04 96 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002409555CB50, 16 bytes long.
 Data: < &#192;&#148;C&#246;           > 18 C0 94 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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