Task 38645342

Name test_75-GPUGRID_TEST_ATM_100_20261023-0-1-RND9062_0
Workunit 31590312
Created 23 Oct 2026, 15:27:23 UTC
Sent 23 Oct 2026, 15:27:53 UTC
Report deadline 28 Oct 2026, 15:27:53 UTC
Received 23 Oct 2026, 17:52:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 600399
Run time 2 hours 23 min 37 sec
CPU time 36 min 40 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.52 MB
Peak swap size 12.90 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
17:30:22 (130832): wrapper (7.9.26016): starting
17:30:22 (130832): 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
17:30:25 (130832): Library/usr/bin/tar.exe exited; CPU time 0.062500
17:30:25 (130832): 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:\BOINC\slots\32\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:\BOINC\slots\32\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
19:52:15 (130832): C:/Windows/system32/cmd.exe exited; CPU time 2200.171875
19:52:15 (130832): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 233186125 bytes.
Dumping objects ->
{3835294} normal block at 0x000001E75828D8F0, 48 bytes long.
 Data: <PATH=C:\BOINC\sl> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835283} normal block at 0x000001E759F7A940, 32 bytes long.
 Data: <HOME=C:\BOINC\sl> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835272} normal block at 0x000001E759F7A880, 32 bytes long.
 Data: <TMP=C:\BOINC\slo> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835261} normal block at 0x000001E759F7A7C0, 32 bytes long.
 Data: <TEMP=C:\BOINC\sl> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835250} normal block at 0x000001E759F7A760, 32 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835219} normal block at 0x000001E75828DDC0, 48 bytes long.
 Data: <PATH=C:\BOINC\sl> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835208} normal block at 0x000001E7582C2450, 140 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) : {3835205} normal block at 0x000001E75825F2B0, 8 bytes long.
 Data: <  tX&#231;   > 00 00 74 58 E7 01 00 00 
{3834577} normal block at 0x000001E7582C1F70, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001E75825FF30, 8 bytes long.
 Data: <&#224;&#234;3X&#231;   > E0 EA 33 58 E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E75825C810, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E758255720, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001E75826A7D0, 16 bytes long.
 Data: <h&#181;&X&#231;           > 68 B5 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E75826ACD0, 16 bytes long.
 Data: <@&#181;&X&#231;           > 40 B5 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E7582632F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001E75826A780, 16 bytes long.
 Data: < &#181;&X&#231;           > 18 B5 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E75826AA00, 16 bytes long.
 Data: <&#240;&#180;&X&#231;           > F0 B4 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E75826A4B0, 16 bytes long.
 Data: <&#200;&#180;&X&#231;           > C8 B4 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E75826AAF0, 16 bytes long.
 Data: <&#160;&#180;&X&#231;           > A0 B4 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E758264B20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001E75826A3C0, 16 bytes long.
 Data: <(5%X&#231;           > 28 35 25 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E758263F50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001E75826AFF0, 16 bytes long.
 Data: < 5%X&#231;           > 00 35 25 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E75826AD20, 16 bytes long.
 Data: <&#216;4%X&#231;           > D8 34 25 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E75826AD70, 16 bytes long.
 Data: <&#176;4%X&#231;           > B0 34 25 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E75826AC30, 16 bytes long.
 Data: < 4%X&#231;           > 88 34 25 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E75826ABE0, 16 bytes long.
 Data: <`4%X&#231;           > 60 34 25 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E75826AB90, 16 bytes long.
 Data: <84%X&#231;           > 38 34 25 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E7582638F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001E75826AC80, 16 bytes long.
 Data: < 4%X&#231;           > 10 34 25 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E758253410, 320 bytes long.
 Data: < &#172;&X&#231;   &#240;8&X&#231;   > 80 AC 26 58 E7 01 00 00 F0 38 26 58 E7 01 00 00 
{277} normal block at 0x000001E75826A640, 16 bytes long.
 Data: < &#180;&X&#231;           > 80 B4 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E75826A280, 16 bytes long.
 Data: <X&#180;&X&#231;           > 58 B4 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E7582639B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001E75826AE60, 16 bytes long.
 Data: <0&#180;&X&#231;           > 30 B4 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E758263C50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001E75826AE10, 16 bytes long.
 Data: <x&#179;&X&#231;           > 78 B3 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E75826A6E0, 16 bytes long.
 Data: <P&#179;&X&#231;           > 50 B3 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E75826B0E0, 16 bytes long.
 Data: <(&#179;&X&#231;           > 28 B3 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E75826A5A0, 16 bytes long.
 Data: < &#179;&X&#231;           > 00 B3 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E75826AFA0, 16 bytes long.
 Data: <&#216;&#178;&X&#231;           > D8 B2 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E75826B130, 16 bytes long.
 Data: <&#176;&#178;&X&#231;           > B0 B2 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E75826AAA0, 16 bytes long.
 Data: <PM&X&#231;           > 50 4D 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E758264D50, 40 bytes long.
 Data: <&#160;&#170;&X&#231;   &#192;&#221;(X&#231;   > A0 AA 26 58 E7 01 00 00 C0 DD 28 58 E7 01 00 00 
{263} normal block at 0x000001E75826A8C0, 16 bytes long.
 Data: < &#178;&X&#231;           > 90 B2 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E75826A820, 16 bytes long.
 Data: <h&#178;&X&#231;           > 68 B2 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E758263D10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001E75826AB40, 16 bytes long.
 Data: <@&#178;&X&#231;           > 40 B2 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E75826B240, 992 bytes long.
 Data: <@&#171;&X&#231;    =&X&#231;   > 40 AB 26 58 E7 01 00 00 10 3D 26 58 E7 01 00 00 
{95} normal block at 0x000001E758263BF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001E75825FAD0, 16 bytes long.
 Data: < O&X&#231;           > 80 4F 26 58 E7 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001E758264F80, 40 bytes long.
 Data: <&#208;&#250;%X&#231;   &#240;;&X&#231;   > D0 FA 25 58 E7 01 00 00 F0 3B 26 58 E7 01 00 00 
{72} normal block at 0x000001E75825F710, 16 bytes long.
 Data: < &#234;'b&#246;           > 80 EA 27 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E75825F210, 16 bytes long.
 Data: <@&#233;'b&#246;           > 40 E9 27 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E75825F580, 16 bytes long.
 Data: <&#248;W$b&#246;           > F8 57 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E75825FE90, 16 bytes long.
 Data: <&#216;W$b&#246;           > D8 57 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E75825FE40, 16 bytes long.
 Data: <P $b&#246;           > 50 04 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E75825FDF0, 16 bytes long.
 Data: <0 $b&#246;           > 30 04 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E75825F8A0, 16 bytes long.
 Data: <&#224; $b&#246;           > E0 02 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E75825F170, 16 bytes long.
 Data: <  $b&#246;           > 10 04 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E75825F990, 16 bytes long.
 Data: <p $b&#246;           > 70 04 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E75825FD00, 16 bytes long.
 Data: < &#192;"b&#246;           > 18 C0 22 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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