Task 38698466

Name test_824-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND3280_0
Workunit 31638985
Created 2 Nov 2026, 15:12:39 UTC
Sent 2 Nov 2026, 15:12:40 UTC
Report deadline 7 Nov 2026, 15:12:40 UTC
Received 2 Nov 2026, 16:12:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631001
Run time 59 min 10 sec
CPU time 54 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,074.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.91 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:15:26 (21604): wrapper (7.9.26016): starting
10:15:26 (21604): 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
10:15:27 (21604): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:15:27 (21604): 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\21\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\21\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
11:12:04 (21604): C:/Windows/system32/cmd.exe exited; CPU time 3270.156250
11:12:04 (21604): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 66447405 bytes.
Dumping objects ->
{3835430} normal block at 0x000001753826CC90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835419} normal block at 0x00000175364646E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835408} normal block at 0x0000017536464670, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835397} normal block at 0x00000175364644B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835386} normal block at 0x0000017536464A60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835355} normal block at 0x00000175382BB2F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835342} normal block at 0x000001753645FEC0, 8 bytes long.
 Data: <  C6u   > 00 00 43 36 75 01 00 00 
{3833959} normal block at 0x000001753645FC40, 8 bytes long.
 Data: < &#230;S6u   > 20 E6 53 36 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000175364611A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017536456390, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000017536466060, 16 bytes long.
 Data: < VF6u           > 08 56 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017536465DE0, 16 bytes long.
 Data: <&#224;UF6u           > E0 55 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001753645F040, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000017536465CF0, 16 bytes long.
 Data: <&#184;UF6u           > B8 55 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017536465CA0, 16 bytes long.
 Data: < UF6u           > 90 55 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000175364657A0, 16 bytes long.
 Data: <hUF6u           > 68 55 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017536466010, 16 bytes long.
 Data: <@UF6u           > 40 55 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000175364647C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000017536465C00, 16 bytes long.
 Data: <8&#181;D6u           > 38 B5 44 36 75 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001753645E620, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000017536465BB0, 16 bytes long.
 Data: < &#181;D6u           > 10 B5 44 36 75 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017536465FC0, 16 bytes long.
 Data: <&#232;&#180;D6u           > E8 B4 44 36 75 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017536465C50, 16 bytes long.
 Data: <&#192;&#180;D6u           > C0 B4 44 36 75 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017536466650, 16 bytes long.
 Data: < &#180;D6u           > 98 B4 44 36 75 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017536466470, 16 bytes long.
 Data: <p&#180;D6u           > 70 B4 44 36 75 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017536465D40, 16 bytes long.
 Data: <H&#180;D6u           > 48 B4 44 36 75 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001753645E860, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000017536465890, 16 bytes long.
 Data: < &#180;D6u           > 20 B4 44 36 75 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001753644B420, 320 bytes long.
 Data: < XF6u   `&#232;E6u   > 90 58 46 36 75 01 00 00 60 E8 45 36 75 01 00 00 
{275} normal block at 0x0000017536465A70, 16 bytes long.
 Data: < UF6u           > 20 55 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017536466150, 16 bytes long.
 Data: <&#248;TF6u           > F8 54 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001753645EE00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000017536465ED0, 16 bytes long.
 Data: <&#208;TF6u           > D0 54 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001753645EA40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000017536465E80, 16 bytes long.
 Data: < TF6u           > 18 54 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017536465F70, 16 bytes long.
 Data: <&#240;SF6u           > F0 53 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017536465F20, 16 bytes long.
 Data: <&#200;SF6u           > C8 53 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017536465A20, 16 bytes long.
 Data: <&#160;SF6u           > A0 53 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017536465930, 16 bytes long.
 Data: <xSF6u           > 78 53 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017536460460, 16 bytes long.
 Data: <PSF6u           > 50 53 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017536460410, 16 bytes long.
 Data: <&#208;JF6u           > D0 4A 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017536464AD0, 40 bytes long.
 Data: <  F6u   &#240;&#178;+8u   > 10 04 46 36 75 01 00 00 F0 B2 2B 38 75 01 00 00 
{261} normal block at 0x00000175364603C0, 16 bytes long.
 Data: <0SF6u           > 30 53 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017536460320, 16 bytes long.
 Data: < SF6u           > 08 53 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001753645EAA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000017536460140, 16 bytes long.
 Data: <&#224;RF6u           > E0 52 46 36 75 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000175364652E0, 992 bytes long.
 Data: <@ F6u   &#160;&#234;E6u   > 40 01 46 36 75 01 00 00 A0 EA 45 36 75 01 00 00 
{93} normal block at 0x000001753645E7A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001753645FF10, 16 bytes long.
 Data: <&#160;&#198;D6u           > A0 C6 44 36 75 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001753644C6A0, 40 bytes long.
 Data: < &#255;E6u   &#160;&#231;E6u   > 10 FF 45 36 75 01 00 00 A0 E7 45 36 75 01 00 00 
{70} normal block at 0x000001753645FCE0, 16 bytes long.
 Data: < &#234;&#161;Y&#246;           > 80 EA A1 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001753645FB00, 16 bytes long.
 Data: <@&#233;&#161;Y&#246;           > 40 E9 A1 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001753645FAB0, 16 bytes long.
 Data: <&#248;W&#158;Y&#246;           > F8 57 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001753645FC90, 16 bytes long.
 Data: <&#216;W&#158;Y&#246;           > D8 57 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001753645FE70, 16 bytes long.
 Data: <P &#158;Y&#246;           > 50 04 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017536460050, 16 bytes long.
 Data: <0 &#158;Y&#246;           > 30 04 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017536460000, 16 bytes long.
 Data: <&#224; &#158;Y&#246;           > E0 02 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001753645F8D0, 16 bytes long.
 Data: <  &#158;Y&#246;           > 10 04 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017536460280, 16 bytes long.
 Data: <p &#158;Y&#246;           > 70 04 9E 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001753645F600, 16 bytes long.
 Data: < &#192;&#156;Y&#246;           > 18 C0 9C 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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