Task 38671503

Name test_927-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND5671_0
Workunit 31613705
Created 25 Oct 2026, 20:43:09 UTC
Sent 25 Oct 2026, 20:43:16 UTC
Report deadline 30 Oct 2026, 20:43:16 UTC
Received 25 Oct 2026, 22:01:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648153
Run time 1 hours 7 min 30 sec
CPU time 57 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.37 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:56:15 (48668): wrapper (7.9.26016): starting
15:56:15 (48668): 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
15:56:19 (48668): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:56:19 (48668): 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
17:00:53 (48668): C:/Windows/system32/cmd.exe exited; CPU time 3462.765625
17:00:53 (48668): 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: 98753367 bytes.
Dumping objects ->
{3835249} normal block at 0x000001B9E7B24000, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001B9E7B24380, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x000001B9E7B248C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x000001B9E7B242A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001B9E7B24230, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x000001B9E9700F50, 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) : {3835161} normal block at 0x000001B9E7A4BB00, 8 bytes long.
 Data: <  &#245;&#231;&#185;   > 00 00 F5 E7 B9 01 00 00 
{3833977} normal block at 0x000001B9E7A4C550, 8 bytes long.
 Data: <`f &#233;&#185;   > 60 66 88 E9 B9 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001B9E7A529F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001B9E7A47DE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x000001B9E7A579F0, 16 bytes long.
 Data: <&#248;&#133;&#165;&#231;&#185;           > F8 85 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001B9E7A576D0, 16 bytes long.
 Data: <&#208;&#133;&#165;&#231;&#185;           > D0 85 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001B9E7A50A40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x000001B9E7A58210, 16 bytes long.
 Data: <&#168;&#133;&#165;&#231;&#185;           > A8 85 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001B9E7A577C0, 16 bytes long.
 Data: < &#133;&#165;&#231;&#185;           > 80 85 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B9E7A579A0, 16 bytes long.
 Data: <X&#133;&#165;&#231;&#185;           > 58 85 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B9E7A57900, 16 bytes long.
 Data: <0&#133;&#165;&#231;&#185;           > 30 85 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B9E7A55880, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x000001B9E7A57630, 16 bytes long.
 Data: < &#167;&#164;&#231;&#185;           > 88 A7 A4 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B9E7A50920, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x000001B9E7A58120, 16 bytes long.
 Data: <`&#167;&#164;&#231;&#185;           > 60 A7 A4 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B9E7A58030, 16 bytes long.
 Data: <8&#167;&#164;&#231;&#185;           > 38 A7 A4 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B9E7A57E50, 16 bytes long.
 Data: < &#167;&#164;&#231;&#185;           > 10 A7 A4 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B9E7A57F90, 16 bytes long.
 Data: <&#232;&#166;&#164;&#231;&#185;           > E8 A6 A4 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B9E7A57DB0, 16 bytes long.
 Data: <&#192;&#166;&#164;&#231;&#185;           > C0 A6 A4 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B9E7A580D0, 16 bytes long.
 Data: < &#166;&#164;&#231;&#185;           > 98 A6 A4 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B9E7A50C20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x000001B9E7A57D60, 16 bytes long.
 Data: <p&#166;&#164;&#231;&#185;           > 70 A6 A4 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B9E7A4A670, 320 bytes long.
 Data: <`}&#165;&#231;&#185;     &#165;&#231;&#185;   > 60 7D A5 E7 B9 01 00 00 20 0C A5 E7 B9 01 00 00 
{284} normal block at 0x000001B9E7A57770, 16 bytes long.
 Data: < &#133;&#165;&#231;&#185;           > 10 85 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B9E7A57F40, 16 bytes long.
 Data: <&#232;&#132;&#165;&#231;&#185;           > E8 84 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B9E7A50BC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x000001B9E7A57EA0, 16 bytes long.
 Data: <&#192;&#132;&#165;&#231;&#185;           > C0 84 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B9E7A500E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x000001B9E7A57680, 16 bytes long.
 Data: < &#132;&#165;&#231;&#185;           > 08 84 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B9E7A57FE0, 16 bytes long.
 Data: <&#224;&#131;&#165;&#231;&#185;           > E0 83 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B9E7A575E0, 16 bytes long.
 Data: <&#184;&#131;&#165;&#231;&#185;           > B8 83 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B9E7A57EF0, 16 bytes long.
 Data: < &#131;&#165;&#231;&#185;           > 90 83 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B9E7A57D10, 16 bytes long.
 Data: <h&#131;&#165;&#231;&#185;           > 68 83 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B9E7A573B0, 16 bytes long.
 Data: <@&#131;&#165;&#231;&#185;           > 40 83 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B9E7A58080, 16 bytes long.
 Data: < X&#165;&#231;&#185;           > 10 58 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B9E7A55810, 40 bytes long.
 Data: <  &#165;&#231;&#185;   P p&#233;&#185;   > 80 80 A5 E7 B9 01 00 00 50 0F 70 E9 B9 01 00 00 
{270} normal block at 0x000001B9E7A57AE0, 16 bytes long.
 Data: < &#131;&#165;&#231;&#185;           > 20 83 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B9E7A57E00, 16 bytes long.
 Data: <&#248;&#130;&#165;&#231;&#185;           > F8 82 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B9E7A50F80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x000001B9E7A57A40, 16 bytes long.
 Data: <&#208;&#130;&#165;&#231;&#185;           > D0 82 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B9E7A582D0, 992 bytes long.
 Data: <@z&#165;&#231;&#185;     &#165;&#231;&#185;   > 40 7A A5 E7 B9 01 00 00 80 0F A5 E7 B9 01 00 00 
{102} normal block at 0x000001B9E7A50680, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000001B9E7A4BE20, 16 bytes long.
 Data: <&#240;X&#165;&#231;&#185;           > F0 58 A5 E7 B9 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001B9E7A558F0, 40 bytes long.
 Data: < &#190;&#164;&#231;&#185;     &#165;&#231;&#185;   > 20 BE A4 E7 B9 01 00 00 80 06 A5 E7 B9 01 00 00 
{79} normal block at 0x000001B9E7A4C000, 16 bytes long.
 Data: < &#234;&#130;M&#246;           > 80 EA 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001B9E7A4C410, 16 bytes long.
 Data: <@&#233;&#130;M&#246;           > 40 E9 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001B9E7A4C5A0, 16 bytes long.
 Data: <&#248;W M&#246;           > F8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001B9E7A4C370, 16 bytes long.
 Data: <&#216;W M&#246;           > D8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001B9E7A4C280, 16 bytes long.
 Data: <P  M&#246;           > 50 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001B9E7A4C320, 16 bytes long.
 Data: <0  M&#246;           > 30 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001B9E7A4BF10, 16 bytes long.
 Data: <&#224;  M&#246;           > E0 02 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B9E7A4B9C0, 16 bytes long.
 Data: <   M&#246;           > 10 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B9E7A4C820, 16 bytes long.
 Data: <p  M&#246;           > 70 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B9E7A4BB50, 16 bytes long.
 Data: < &#192;}M&#246;           > 18 C0 7D 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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