Task 38663291

Name test_1819-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND3399_1
Workunit 31606452
Created 24 Oct 2026, 21:43:57 UTC
Sent 24 Oct 2026, 21:44:08 UTC
Report deadline 29 Oct 2026, 21:44:08 UTC
Received 24 Oct 2026, 23:02:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631520
Run time 36 min 32 sec
CPU time 34 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,608.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.76 MB
Peak swap size 5.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:24:54 (17372): wrapper (7.9.26016): starting
07:24:54 (17372): 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
07:24:56 (17372): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:24:56 (17372): 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
08:00:04 (17372): C:/Windows/system32/cmd.exe exited; CPU time 2050.296875
08:00:04 (17372): 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: 39728855 bytes.
Dumping objects ->
{3835268} normal block at 0x00000160C94CB810, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x00000160C76B4880, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x00000160C76B47A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835235} normal block at 0x00000160C76B4AB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x00000160C76B4810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835193} normal block at 0x00000160C9513AB0, 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) : {3835180} normal block at 0x00000160C76B0E00, 8 bytes long.
 Data: <   &#199;`   > 00 00 99 C7 60 01 00 00 
{3834037} normal block at 0x00000160C76B1170, 8 bytes long.
 Data: <&#176; B&#201;`   > B0 E3 42 C9 60 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000160C76A6890, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000160C76A7490, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000160C76B5F60, 16 bytes long.
 Data: <&#216;dk&#199;`           > D8 64 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000160C76B5BF0, 16 bytes long.
 Data: <&#176;dk&#199;`           > B0 64 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000160C76AF4B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000160C76B58D0, 16 bytes long.
 Data: < dk&#199;`           > 88 64 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000160C76B57E0, 16 bytes long.
 Data: <`dk&#199;`           > 60 64 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000160C76B5D30, 16 bytes long.
 Data: <8dk&#199;`           > 38 64 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000160C76B5BA0, 16 bytes long.
 Data: < dk&#199;`           > 10 64 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000160C76B49D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000160C76B5470, 16 bytes long.
 Data: <  i&#199;`           > E8 EF 69 C7 60 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000160C76AFCF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000160C76B60F0, 16 bytes long.
 Data: <&#192; i&#199;`           > C0 EF 69 C7 60 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000160C76B5790, 16 bytes long.
 Data: <  i&#199;`           > 98 EF 69 C7 60 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000160C76B5C90, 16 bytes long.
 Data: <p i&#199;`           > 70 EF 69 C7 60 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000160C76B5F10, 16 bytes long.
 Data: <H i&#199;`           > 48 EF 69 C7 60 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000160C76B55B0, 16 bytes long.
 Data: <  i&#199;`           > 20 EF 69 C7 60 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000160C76B60A0, 16 bytes long.
 Data: <  i&#199;`           > F8 EE 69 C7 60 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000160C76B0110, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000160C76B5290, 16 bytes long.
 Data: <&#208; i&#199;`           > D0 EE 69 C7 60 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000160C769EED0, 320 bytes long.
 Data: < Rk&#199;`     k&#199;`   > 90 52 6B C7 60 01 00 00 10 01 6B C7 60 01 00 00 
{271} normal block at 0x00000160C76B5B50, 16 bytes long.
 Data: < ck&#199;`           > F0 63 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000160C76B56A0, 16 bytes long.
 Data: <&#200;ck&#199;`           > C8 63 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000160C76AF210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000160C76B5B00, 16 bytes long.
 Data: < ck&#199;`           > A0 63 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000160C76AFDB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000160C76B5A10, 16 bytes long.
 Data: < bk&#199;`           > E8 62 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000160C76B5AB0, 16 bytes long.
 Data: <&#192;bk&#199;`           > C0 62 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000160C76B5880, 16 bytes long.
 Data: < bk&#199;`           > 98 62 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000160C76B5EC0, 16 bytes long.
 Data: <pbk&#199;`           > 70 62 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000160C76B5830, 16 bytes long.
 Data: <Hbk&#199;`           > 48 62 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000160C76B52E0, 16 bytes long.
 Data: < bk&#199;`           > 20 62 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000160C76B5560, 16 bytes long.
 Data: < Lk&#199;`           > E0 4C 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000160C76B4CE0, 40 bytes long.
 Data: <`Uk&#199;`   &#176;:Q&#201;`   > 60 55 6B C7 60 01 00 00 B0 3A 51 C9 60 01 00 00 
{257} normal block at 0x00000160C76B5740, 16 bytes long.
 Data: < bk&#199;`           > 00 62 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000160C76B5650, 16 bytes long.
 Data: <&#216;ak&#199;`           > D8 61 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000160C76AF810, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000160C76B5E20, 16 bytes long.
 Data: <&#176;ak&#199;`           > B0 61 6B C7 60 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000160C76B61B0, 992 bytes long.
 Data: < ^k&#199;`     j&#199;`   > 20 5E 6B C7 60 01 00 00 10 F8 6A C7 60 01 00 00 
{89} normal block at 0x00000160C76AF870, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000160C76B1120, 16 bytes long.
 Data: <&#208;&#212;i&#199;`           > D0 D4 69 C7 60 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000160C769D4D0, 40 bytes long.
 Data: <  k&#199;`   p j&#199;`   > 20 11 6B C7 60 01 00 00 70 F8 6A C7 60 01 00 00 
{64} normal block at 0x00000160C76B0220, 16 bytes long.
 Data: <   _            > 80 EA FA 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000160C76B0DB0, 16 bytes long.
 Data: <@  _            > 40 E9 FA 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000160C76B0F90, 16 bytes long.
 Data: < W _            > F8 57 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000160C76B0590, 16 bytes long.
 Data: <&#216;W _            > D8 57 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000160C76B0310, 16 bytes long.
 Data: <P  _            > 50 04 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000160C76B0F40, 16 bytes long.
 Data: <0  _            > 30 04 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000160C76B0FE0, 16 bytes long.
 Data: <   _            > E0 02 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000160C76B0AE0, 16 bytes long.
 Data: <   _            > 10 04 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000160C76B0EF0, 16 bytes long.
 Data: <p  _            > 70 04 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000160C76B0BD0, 16 bytes long.
 Data: < &#192; _            > 18 C0 F5 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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