Task 38697979

Name test_419-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND2787_0
Workunit 31638514
Created 2 Nov 2026, 1:09:15 UTC
Sent 2 Nov 2026, 1:09:17 UTC
Report deadline 7 Nov 2026, 1:09:17 UTC
Received 2 Nov 2026, 5:02:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652187
Run time 49 min 21 sec
CPU time 46 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,213.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.63 MB
Peak swap size 6.90 GB
Peak disk usage 3.60 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:14:33 (8056): wrapper (7.9.26016): starting
22:14:33 (8056): 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
22:14:35 (8056): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:14:35 (8056): 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\Data\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\Data\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
23:01:43 (8056): C:/Windows/system32/cmd.exe exited; CPU time 2766.921875
23:01:43 (8056): called boinc_finish(0)
0 bytes in 0 Free Blocks.
272 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: 50604669 bytes.
Dumping objects ->
{3837140} normal block at 0x000002846DC44940, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3837129} normal block at 0x000002846C04D380, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3837118} normal block at 0x000002846C04D5B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3837107} normal block at 0x000002846BFF4530, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3837096} normal block at 0x000002846BFF4A70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3837065} normal block at 0x000002846DC43A40, 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) : {3837052} normal block at 0x000002846BFEF330, 8 bytes long.
 Data: <  Tl&#132;   > 00 00 54 6C 84 02 00 00 
{3835842} normal block at 0x000002846BFEE9D0, 8 bytes long.
 Data: <PE&#202;m&#132;   > 50 45 CA 6D 84 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002846BFF0810, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002846BFE6820, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002846BFF53D0, 16 bytes long.
 Data: <Hc&#255;k&#132;           > 48 63 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002846BFF5E20, 16 bytes long.
 Data: < c&#255;k&#132;           > 20 63 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002846BFF01C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002846BFF5970, 16 bytes long.
 Data: <&#248;b&#255;k&#132;           > F8 62 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002846BFF5100, 16 bytes long.
 Data: <&#208;b&#255;k&#132;           > D0 62 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002846BFF5060, 16 bytes long.
 Data: <&#168;b&#255;k&#132;           > A8 62 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002846BFF5330, 16 bytes long.
 Data: < b&#255;k&#132;           > 80 62 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002846BFF4680, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002846BFF57E0, 16 bytes long.
 Data: <&#184;&#242;&#253;k&#132;           > B8 F2 FD 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002846BFF0340, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002846BFF5CE0, 16 bytes long.
 Data: < &#242;&#253;k&#132;           > 90 F2 FD 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002846BFF52E0, 16 bytes long.
 Data: <h&#242;&#253;k&#132;           > 68 F2 FD 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002846BFF5C90, 16 bytes long.
 Data: <@&#242;&#253;k&#132;           > 40 F2 FD 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002846BFF55B0, 16 bytes long.
 Data: < &#242;&#253;k&#132;           > 18 F2 FD 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002846BFF5DD0, 16 bytes long.
 Data: <&#240;&#241;&#253;k&#132;           > F0 F1 FD 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002846BFF5C40, 16 bytes long.
 Data: <&#200;&#241;&#253;k&#132;           > C8 F1 FD 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002846BFEFE60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002846BFF5560, 16 bytes long.
 Data: <&#160;&#241;&#253;k&#132;           > A0 F1 FD 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002846BFDF1A0, 320 bytes long.
 Data: <`U&#255;k&#132;   `&#254;&#254;k&#132;   > 60 55 FF 6B 84 02 00 00 60 FE FE 6B 84 02 00 00 
{274} normal block at 0x000002846BFF50B0, 16 bytes long.
 Data: <`b&#255;k&#132;           > 60 62 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002846BFF5470, 16 bytes long.
 Data: <8b&#255;k&#132;           > 38 62 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002846BFEF680, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002846BFF5D80, 16 bytes long.
 Data: < b&#255;k&#132;           > 10 62 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002846BFEFD40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002846BFF5510, 16 bytes long.
 Data: <Xa&#255;k&#132;           > 58 61 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002846BFF5FB0, 16 bytes long.
 Data: <0a&#255;k&#132;           > 30 61 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002846BFF5E70, 16 bytes long.
 Data: < a&#255;k&#132;           > 08 61 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002846BFF5F60, 16 bytes long.
 Data: <&#224;`&#255;k&#132;           > E0 60 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002846BFF5920, 16 bytes long.
 Data: <&#184;`&#255;k&#132;           > B8 60 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002846BFF5380, 16 bytes long.
 Data: < `&#255;k&#132;           > 90 60 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002846BFF5BA0, 16 bytes long.
 Data: <PK&#255;k&#132;           > 50 4B FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002846BFF4B50, 40 bytes long.
 Data: <&#160;[&#255;k&#132;   @:&#196;m&#132;   > A0 5B FF 6B 84 02 00 00 40 3A C4 6D 84 02 00 00 
{260} normal block at 0x000002846BFF5290, 16 bytes long.
 Data: <p`&#255;k&#132;           > 70 60 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002846BFF5240, 16 bytes long.
 Data: <H`&#255;k&#132;           > 48 60 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002846BFEF860, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002846BFF5D30, 16 bytes long.
 Data: < `&#255;k&#132;           > 20 60 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002846BFF6020, 992 bytes long.
 Data: <0]&#255;k&#132;   `&#248;&#254;k&#132;   > 30 5D FF 6B 84 02 00 00 60 F8 FE 6B 84 02 00 00 
{92} normal block at 0x000002846BFEFF20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002846BFEE7F0, 16 bytes long.
 Data: <@H&#255;k&#132;           > 40 48 FF 6B 84 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002846BFF4840, 40 bytes long.
 Data: <&#240;&#231;&#254;k&#132;    &#255;&#254;k&#132;   > F0 E7 FE 6B 84 02 00 00 20 FF FE 6B 84 02 00 00 
{69} normal block at 0x000002846BFEECF0, 16 bytes long.
 Data: < &#234;r&#217;&#247;           > 80 EA 72 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002846BFEEF70, 16 bytes long.
 Data: <@&#233;r&#217;&#247;           > 40 E9 72 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002846BFEEED0, 16 bytes long.
 Data: <&#248;Wo&#217;&#247;           > F8 57 6F D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002846BFEECA0, 16 bytes long.
 Data: <&#216;Wo&#217;&#247;           > D8 57 6F D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002846BFEEC50, 16 bytes long.
 Data: <P o&#217;&#247;           > 50 04 6F D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002846BFEEF20, 16 bytes long.
 Data: <0 o&#217;&#247;           > 30 04 6F D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002846BFEEBB0, 16 bytes long.
 Data: <&#224; o&#217;&#247;           > E0 02 6F D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002846BFEEE80, 16 bytes long.
 Data: <  o&#217;&#247;           > 10 04 6F D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002846BFEEFC0, 16 bytes long.
 Data: <p o&#217;&#247;           > 70 04 6F D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002846BFEEDE0, 16 bytes long.
 Data: < &#192;m&#217;&#247;           > 18 C0 6D D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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