Task 38678892

Name test_634-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND7134_0
Workunit 31620696
Created 26 Oct 2026, 18:50:44 UTC
Sent 26 Oct 2026, 18:50:46 UTC
Report deadline 31 Oct 2026, 18:50:46 UTC
Received 26 Oct 2026, 20:55:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651945
Run time 38 min 51 sec
CPU time 35 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.36 MB
Peak swap size 8.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:16:42 (24340): wrapper (7.9.26016): starting
16:16:42 (24340): 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
16:16:44 (24340): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:16:44 (24340): 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\16\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\16\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
16:53:41 (24340): C:/Windows/system32/cmd.exe exited; CPU time 2134.343750
16:53:41 (24340): 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: 40025995 bytes.
Dumping objects ->
{3835262} normal block at 0x000001AE663135A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x000001AE66313D10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001AE66313A70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x000001AE64584810, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001AE645847A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x000001AE662868C0, 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) : {3835174} normal block at 0x000001AE6457EFA0, 8 bytes long.
 Data: <  Td&#174;   > 00 00 54 64 AE 01 00 00 
{3833959} normal block at 0x000001AE6457EAF0, 8 bytes long.
 Data: < @Xd&#174;   > 20 40 58 64 AE 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001AE645808E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001AE64576BB0, 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 0x000001AE64586000, 16 bytes long.
 Data: <&#168;UXd&#174;           > A8 55 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AE64585880, 16 bytes long.
 Data: < UXd&#174;           > 80 55 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AE6457FAF0, 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 0x000001AE64585AB0, 16 bytes long.
 Data: <XUXd&#174;           > 58 55 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AE645863C0, 16 bytes long.
 Data: <0UXd&#174;           > 30 55 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AE64585B50, 16 bytes long.
 Data: < UXd&#174;           > 08 55 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AE64585F10, 16 bytes long.
 Data: <&#224;TXd&#174;           > E0 54 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AE645849D0, 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 0x000001AE64585EC0, 16 bytes long.
 Data: <&#232;&#181;Vd&#174;           > E8 B5 56 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AE64580210, 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 0x000001AE64586230, 16 bytes long.
 Data: <&#192;&#181;Vd&#174;           > C0 B5 56 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AE64586370, 16 bytes long.
 Data: < &#181;Vd&#174;           > 98 B5 56 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AE64585E70, 16 bytes long.
 Data: <p&#181;Vd&#174;           > 70 B5 56 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AE64585E20, 16 bytes long.
 Data: <H&#181;Vd&#174;           > 48 B5 56 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AE64586050, 16 bytes long.
 Data: < &#181;Vd&#174;           > 20 B5 56 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AE64586140, 16 bytes long.
 Data: <&#248;&#180;Vd&#174;           > F8 B4 56 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AE6457FA90, 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 0x000001AE64585A60, 16 bytes long.
 Data: <&#208;&#180;Vd&#174;           > D0 B4 56 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AE6456B4D0, 320 bytes long.
 Data: <`ZXd&#174;    &#250;Wd&#174;   > 60 5A 58 64 AE 01 00 00 90 FA 57 64 AE 01 00 00 
{275} normal block at 0x000001AE64586280, 16 bytes long.
 Data: <&#192;TXd&#174;           > C0 54 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AE64585B00, 16 bytes long.
 Data: < TXd&#174;           > 98 54 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AE6457FA30, 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 0x000001AE64585BA0, 16 bytes long.
 Data: <pTXd&#174;           > 70 54 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AE6457FF10, 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 0x000001AE645859C0, 16 bytes long.
 Data: <&#184;SXd&#174;           > B8 53 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AE64585970, 16 bytes long.
 Data: < SXd&#174;           > 90 53 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AE64586190, 16 bytes long.
 Data: <hSXd&#174;           > 68 53 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AE64585A10, 16 bytes long.
 Data: <@SXd&#174;           > 40 53 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AE645861E0, 16 bytes long.
 Data: < SXd&#174;           > 18 53 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AE6457F630, 16 bytes long.
 Data: <&#240;RXd&#174;           > F0 52 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AE6457F220, 16 bytes long.
 Data: <&#224;LXd&#174;           > E0 4C 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AE64584CE0, 40 bytes long.
 Data: < &#242;Wd&#174;   &#192;h(f&#174;   > 20 F2 57 64 AE 01 00 00 C0 68 28 66 AE 01 00 00 
{261} normal block at 0x000001AE6457F1D0, 16 bytes long.
 Data: <&#208;RXd&#174;           > D0 52 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AE6457EEB0, 16 bytes long.
 Data: <&#168;RXd&#174;           > A8 52 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AE6457F970, 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 0x000001AE6457F090, 16 bytes long.
 Data: < RXd&#174;           > 80 52 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AE64585280, 992 bytes long.
 Data: < &#240;Wd&#174;   p&#249;Wd&#174;   > 90 F0 57 64 AE 01 00 00 70 F9 57 64 AE 01 00 00 
{93} normal block at 0x000001AE6457FB50, 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 0x000001AE6457F310, 16 bytes long.
 Data: <&#176;JXd&#174;           > B0 4A 58 64 AE 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001AE64584AB0, 40 bytes long.
 Data: < &#243;Wd&#174;   P&#251;Wd&#174;   > 10 F3 57 64 AE 01 00 00 50 FB 57 64 AE 01 00 00 
{70} normal block at 0x000001AE6457E7D0, 16 bytes long.
 Data: < &#234; I&#246;           > 80 EA 7F 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AE6457F590, 16 bytes long.
 Data: <@&#233; I&#246;           > 40 E9 7F 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AE6457F0E0, 16 bytes long.
 Data: <&#248;W|I&#246;           > F8 57 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AE6457E960, 16 bytes long.
 Data: <&#216;W|I&#246;           > D8 57 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AE6457EA00, 16 bytes long.
 Data: <P |I&#246;           > 50 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AE6457EB90, 16 bytes long.
 Data: <0 |I&#246;           > 30 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AE6457F4A0, 16 bytes long.
 Data: <&#224; |I&#246;           > E0 02 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AE6457EC30, 16 bytes long.
 Data: <  |I&#246;           > 10 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AE6457EFF0, 16 bytes long.
 Data: <p |I&#246;           > 70 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AE6457EE60, 16 bytes long.
 Data: < &#192;zI&#246;           > 18 C0 7A 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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