Task 38696116

Name test_725-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND9611_0
Workunit 31636767
Created 31 Oct 2026, 19:22:06 UTC
Sent 31 Oct 2026, 19:22:09 UTC
Report deadline 5 Nov 2026, 19:22:09 UTC
Received 1 Nov 2026, 20:12:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632144
Run time 53 min 5 sec
CPU time 51 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.67 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:19:54 (45828): wrapper (7.9.26016): starting
11:19:54 (45828): 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
11:19:55 (45828): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:19:55 (45828): 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\2\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\2\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
12:12:18 (45828): C:/Windows/system32/cmd.exe exited; CPU time 3100.218750
12:12:18 (45828): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 95767081 bytes.
Dumping objects ->
{3835638} normal block at 0x000001D138532740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x000001D138532350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x000001D1385326D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x000001D138531D30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x000001D1385327B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x000001D1386392E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x000001D1385C3E10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835549} normal block at 0x000001D136A4E5A0, 8 bytes long.
 Data: <  &#220;6&#209;   > 00 00 DC 36 D1 01 00 00 
{3834742} normal block at 0x000001D1385C35D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833987} normal block at 0x000001D136A4E8C0, 8 bytes long.
 Data: <  S8&#209;   > 80 05 53 38 D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000001D136A53E00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x000001D136A4AAC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x000001D136A59C80, 16 bytes long.
 Data: <&#200;&#176;&#165;6&#209;           > C8 B0 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001D136A5A450, 16 bytes long.
 Data: <&#160;&#176;&#165;6&#209;           > A0 B0 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001D136A55D70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x000001D136A5A590, 16 bytes long.
 Data: <x&#176;&#165;6&#209;           > 78 B0 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001D136A5A0E0, 16 bytes long.
 Data: <P&#176;&#165;6&#209;           > 50 B0 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001D136A5A220, 16 bytes long.
 Data: <(&#176;&#165;6&#209;           > 28 B0 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001D136A59EB0, 16 bytes long.
 Data: < &#176;&#165;6&#209;           > 00 B0 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D136A58030, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x000001D136A5A810, 16 bytes long.
 Data: <&#248;&#151;&#165;6&#209;           > F8 97 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001D136A55D10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x000001D136A5A090, 16 bytes long.
 Data: <&#208;&#151;&#165;6&#209;           > D0 97 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D136A5A2C0, 16 bytes long.
 Data: <&#168;&#151;&#165;6&#209;           > A8 97 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D136A5AB80, 16 bytes long.
 Data: < &#151;&#165;6&#209;           > 80 97 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D136A59DC0, 16 bytes long.
 Data: <X&#151;&#165;6&#209;           > 58 97 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D136A59D70, 16 bytes long.
 Data: <0&#151;&#165;6&#209;           > 30 97 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D136A5A3B0, 16 bytes long.
 Data: < &#151;&#165;6&#209;           > 08 97 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D136A563D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x000001D136A5A9F0, 16 bytes long.
 Data: <&#224;&#150;&#165;6&#209;           > E0 96 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D136A596E0, 320 bytes long.
 Data: <&#240;&#169;&#165;6&#209;   &#208;c&#165;6&#209;   > F0 A9 A5 36 D1 01 00 00 D0 63 A5 36 D1 01 00 00 
{289} normal block at 0x000001D136A5AB30, 16 bytes long.
 Data: <&#224;&#175;&#165;6&#209;           > E0 AF A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D136A59FF0, 16 bytes long.
 Data: <&#184;&#175;&#165;6&#209;           > B8 AF A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D136A56430, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x000001D136A59FA0, 16 bytes long.
 Data: < &#175;&#165;6&#209;           > 90 AF A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D136A567F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x000001D136A59C30, 16 bytes long.
 Data: <&#216;&#174;&#165;6&#209;           > D8 AE A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D136A59E60, 16 bytes long.
 Data: <&#176;&#174;&#165;6&#209;           > B0 AE A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D136A5A9A0, 16 bytes long.
 Data: < &#174;&#165;6&#209;           > 88 AE A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D136A59E10, 16 bytes long.
 Data: <`&#174;&#165;6&#209;           > 60 AE A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D136A5A540, 16 bytes long.
 Data: <8&#174;&#165;6&#209;           > 38 AE A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D136A59F50, 16 bytes long.
 Data: < &#174;&#165;6&#209;           > 10 AE A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D136A5A680, 16 bytes long.
 Data: <&#176;&#131;&#165;6&#209;           > B0 83 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D136A583B0, 40 bytes long.
 Data: < &#166;&#165;6&#209;   &#224;&#146;c8&#209;   > 80 A6 A5 36 D1 01 00 00 E0 92 63 38 D1 01 00 00 
{275} normal block at 0x000001D136A5A1D0, 16 bytes long.
 Data: <&#240;&#173;&#165;6&#209;           > F0 AD A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D136A5A040, 16 bytes long.
 Data: <&#200;&#173;&#165;6&#209;           > C8 AD A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D136A56790, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x000001D136A5A7C0, 16 bytes long.
 Data: <&#160;&#173;&#165;6&#209;           > A0 AD A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D136A5ADA0, 992 bytes long.
 Data: <&#192;&#167;&#165;6&#209;    g&#165;6&#209;   > C0 A7 A5 36 D1 01 00 00 90 67 A5 36 D1 01 00 00 
{107} normal block at 0x000001D136A56490, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x000001D136A4EA50, 16 bytes long.
 Data: <&#240; &#165;6&#209;           > F0 81 A5 36 D1 01 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x000001D136A581F0, 40 bytes long.
 Data: <P&#234;&#164;6&#209;    d&#165;6&#209;   > 50 EA A4 36 D1 01 00 00 90 64 A5 36 D1 01 00 00 
{84} normal block at 0x000001D136A4EBE0, 16 bytes long.
 Data: < &#234;&#137;,&#246;           > 80 EA 89 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001D136A4E0F0, 16 bytes long.
 Data: <@&#233;&#137;,&#246;           > 40 E9 89 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001D136A4E7D0, 16 bytes long.
 Data: <&#248;W&#134;,&#246;           > F8 57 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001D136A4E550, 16 bytes long.
 Data: <&#216;W&#134;,&#246;           > D8 57 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001D136A4EC30, 16 bytes long.
 Data: <P &#134;,&#246;           > 50 04 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001D136A4ED20, 16 bytes long.
 Data: <0 &#134;,&#246;           > 30 04 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001D136A4E0A0, 16 bytes long.
 Data: <&#224; &#134;,&#246;           > E0 02 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001D136A4EFA0, 16 bytes long.
 Data: <  &#134;,&#246;           > 10 04 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001D136A4EA00, 16 bytes long.
 Data: <p &#134;,&#246;           > 70 04 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001D136A4EE10, 16 bytes long.
 Data: < &#192;&#132;,&#246;           > 18 C0 84 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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