Task 38681162

Name test_651-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND8236_0
Workunit 31622843
Created 27 Oct 2026, 2:57:32 UTC
Sent 27 Oct 2026, 2:57:33 UTC
Report deadline 1 Nov 2026, 2:57:33 UTC
Received 27 Oct 2026, 4:52:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 29 min 3 sec
CPU time 27 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.11 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:23:36 (30604): wrapper (7.9.26016): starting
13:23:36 (30604): 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
13:23:37 (30604): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:23:37 (30604): 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\1\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\1\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
13:51:57 (30604): C:/Windows/system32/cmd.exe exited; CPU time 1633.937500
13:51:57 (30604): 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: 38993987 bytes.
Dumping objects ->
{3835380} normal block at 0x0000021B2702F000, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x0000021B2702F2A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x0000021B2702FA10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x0000021B2702F230, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x0000021B2702F4D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x0000021B2A949A10, 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) : {3835292} normal block at 0x0000021B2702C030, 8 bytes long.
 Data: <  &#174;(    > 00 00 AE 28 1B 02 00 00 
{3834077} normal block at 0x0000021B2702C2B0, 8 bytes long.
 Data: <p  '    > 70 EB 0F 27 1B 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000021B2701EA40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000021B27017440, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000021B2702BCC0, 16 bytes long.
 Data: < &#185; '            > 98 B9 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021B2702C300, 16 bytes long.
 Data: <p&#185; '            > 70 B9 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021B27024190, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000021B2702BB80, 16 bytes long.
 Data: <H&#185; '            > 48 B9 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021B2702C1C0, 16 bytes long.
 Data: < &#185; '            > 20 B9 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021B27027FD0, 16 bytes long.
 Data: < &#184; '            > F8 B8 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021B27027EE0, 16 bytes long.
 Data: <&#208;&#184; '            > D0 B8 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021B270266B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000021B27027E40, 16 bytes long.
 Data: < ^ '            > 18 5E 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021B27024BB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000021B27027DF0, 16 bytes long.
 Data: < ] '            > F0 5D 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021B27027E90, 16 bytes long.
 Data: <&#200;] '            > C8 5D 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021B27027D50, 16 bytes long.
 Data: < ] '            > A0 5D 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021B27027D00, 16 bytes long.
 Data: <x] '            > 78 5D 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021B27027B70, 16 bytes long.
 Data: <P] '            > 50 5D 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021B27027AD0, 16 bytes long.
 Data: <(] '            > 28 5D 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021B270240D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000021B270278F0, 16 bytes long.
 Data: < ] '            > 00 5D 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021B27025D00, 320 bytes long.
 Data: < x '    &#208;@ '    > F0 78 02 27 1B 02 00 00 D0 40 02 27 1B 02 00 00 
{281} normal block at 0x0000021B270286B0, 16 bytes long.
 Data: <&#176;&#184; '            > B0 B8 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021B27028390, 16 bytes long.
 Data: < &#184; '            > 88 B8 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021B270243D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000021B270281B0, 16 bytes long.
 Data: <`&#184; '            > 60 B8 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021B27024010, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000021B27028700, 16 bytes long.
 Data: <&#168;&#183; '            > A8 B7 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021B270285C0, 16 bytes long.
 Data: < &#183; '            > 80 B7 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021B270278A0, 16 bytes long.
 Data: <X&#183; '            > 58 B7 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021B270279E0, 16 bytes long.
 Data: <0&#183; '            > 30 B7 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021B27028660, 16 bytes long.
 Data: < &#183; '            > 08 B7 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021B270283E0, 16 bytes long.
 Data: < &#182; '            > E0 B6 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021B270282A0, 16 bytes long.
 Data: <0c '            > 30 63 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021B27026330, 40 bytes long.
 Data: <   '       *    > A0 82 02 27 1B 02 00 00 10 9A 94 2A 1B 02 00 00 
{267} normal block at 0x0000021B27027C10, 16 bytes long.
 Data: <&#192;&#182; '            > C0 B6 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021B27027BC0, 16 bytes long.
 Data: < &#182; '            > 98 B6 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021B27024850, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000021B27028250, 16 bytes long.
 Data: <p&#182; '            > 70 B6 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021B2702B670, 992 bytes long.
 Data: <P  '    PH '    > 50 82 02 27 1B 02 00 00 50 48 02 27 1B 02 00 00 
{99} normal block at 0x0000021B27023DD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000021B27027850, 16 bytes long.
 Data: <pa '            > 70 61 02 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000021B27026170, 40 bytes long.
 Data: <Px '    &#208;= '    > 50 78 02 27 1B 02 00 00 D0 3D 02 27 1B 02 00 00 
{74} normal block at 0x0000021B27027DA0, 16 bytes long.
 Data: <   m            > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021B27027F80, 16 bytes long.
 Data: <@  m            > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021B27027CB0, 16 bytes long.
 Data: < W m            > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021B27027A30, 16 bytes long.
 Data: <&#216;W m            > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021B27027F30, 16 bytes long.
 Data: <P  m            > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021B27028160, 16 bytes long.
 Data: <0  m            > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021B2701B610, 16 bytes long.
 Data: <   m            > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021B2701B250, 16 bytes long.
 Data: <   m            > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021B2701B200, 16 bytes long.
 Data: <p  m            > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021B2701B070, 16 bytes long.
 Data: < &#192; m            > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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