Task 38684449

Name test_442-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2375_0
Workunit 31625964
Created 27 Oct 2026, 16:23:03 UTC
Sent 27 Oct 2026, 16:23:10 UTC
Report deadline 1 Nov 2026, 16:23:10 UTC
Received 27 Oct 2026, 17:11:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652497
Run time 27 min 14 sec
CPU time 21 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 57,419.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.04 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:44:25 (13384): wrapper (7.9.26016): starting
11:44:25 (13384): 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
11:44:26 (13384): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:44:26 (13384): 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
12:10:52 (13384): C:/Windows/system32/cmd.exe exited; CPU time 1314.781250
12:10:52 (13384): 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: 29019273 bytes.
Dumping objects ->
{3835193} normal block at 0x0000024AC424D0A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000024AC424D9D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835171} normal block at 0x0000024AC424D810, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835160} normal block at 0x0000024AC424CD20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x0000024AC424D650, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835118} normal block at 0x0000024AC604CA30, 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) : {3835105} normal block at 0x0000024AC423CDB0, 8 bytes long.
 Data: <  &#131;&#196;J   > 00 00 83 C4 4A 02 00 00 
{3833951} normal block at 0x0000024AC423C630, 8 bytes long.
 Data: <@&#234;&#245;&#197;J   > 40 EA F5 C5 4A 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000024AC423DC80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024AC423A300, 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 0x0000024AC424E350, 16 bytes long.
 Data: < &#238;$&#196;J           > 18 EE 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024AC424E7B0, 16 bytes long.
 Data: <&#240;&#237;$&#196;J           > F0 ED 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024AC424AEB0, 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 0x0000024AC424E990, 16 bytes long.
 Data: <&#200;&#237;$&#196;J           > C8 ED 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024AC424E260, 16 bytes long.
 Data: <&#160;&#237;$&#196;J           > A0 ED 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024AC424E0D0, 16 bytes long.
 Data: <x&#237;$&#196;J           > 78 ED 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024AC424E710, 16 bytes long.
 Data: <P&#237;$&#196;J           > 50 ED 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024AC4249A30, 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 0x0000024AC424E120, 16 bytes long.
 Data: <8&#186;#&#196;J           > 38 BA 23 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024AC424A7F0, 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 0x0000024AC424E620, 16 bytes long.
 Data: < &#186;#&#196;J           > 10 BA 23 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024AC424DF40, 16 bytes long.
 Data: <&#232;&#185;#&#196;J           > E8 B9 23 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024AC424DEA0, 16 bytes long.
 Data: <&#192;&#185;#&#196;J           > C0 B9 23 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024AC424E6C0, 16 bytes long.
 Data: < &#185;#&#196;J           > 98 B9 23 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024AC424DFE0, 16 bytes long.
 Data: <p&#185;#&#196;J           > 70 B9 23 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024AC424E530, 16 bytes long.
 Data: <H&#185;#&#196;J           > 48 B9 23 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024AC424A5B0, 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 0x0000024AC424DDB0, 16 bytes long.
 Data: < &#185;#&#196;J           > 20 B9 23 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024AC423B920, 320 bytes long.
 Data: <&#176;&#221;$&#196;J   &#176;&#165;$&#196;J   > B0 DD 24 C4 4A 02 00 00 B0 A5 24 C4 4A 02 00 00 
{271} normal block at 0x0000024AC424E3F0, 16 bytes long.
 Data: <0&#237;$&#196;J           > 30 ED 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024AC424DE50, 16 bytes long.
 Data: < &#237;$&#196;J           > 08 ED 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024AC424A550, 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 0x0000024AC424DD60, 16 bytes long.
 Data: <&#224;&#236;$&#196;J           > E0 EC 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024AC424A610, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000024AC424E490, 16 bytes long.
 Data: <(&#236;$&#196;J           > 28 EC 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024AC424DB80, 16 bytes long.
 Data: < &#236;$&#196;J           > 00 EC 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024AC424E8A0, 16 bytes long.
 Data: <&#216;&#235;$&#196;J           > D8 EB 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024AC424E210, 16 bytes long.
 Data: <&#176;&#235;$&#196;J           > B0 EB 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024AC424DEF0, 16 bytes long.
 Data: < &#235;$&#196;J           > 88 EB 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024AC424E670, 16 bytes long.
 Data: <`&#235;$&#196;J           > 60 EB 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024AC424E080, 16 bytes long.
 Data: <`&#156;$&#196;J           > 60 9C 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024AC4249C60, 40 bytes long.
 Data: < &#224;$&#196;J   0&#202; &#198;J   > 80 E0 24 C4 4A 02 00 00 30 CA 04 C6 4A 02 00 00 
{257} normal block at 0x0000024AC424E300, 16 bytes long.
 Data: <@&#235;$&#196;J           > 40 EB 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024AC424E5D0, 16 bytes long.
 Data: < &#235;$&#196;J           > 18 EB 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024AC424A730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000024AC424E940, 16 bytes long.
 Data: <&#240;&#234;$&#196;J           > F0 EA 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000024AC424EAF0, 992 bytes long.
 Data: <@&#233;$&#196;J   0&#167;$&#196;J   > 40 E9 24 C4 4A 02 00 00 30 A7 24 C4 4A 02 00 00 
{89} normal block at 0x0000024AC424AD30, 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 0x0000024AC423D080, 16 bytes long.
 Data: < &#159;$&#196;J           > 00 9F 24 C4 4A 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000024AC4249F00, 40 bytes long.
 Data: < &#208;#&#196;J   0&#173;$&#196;J   > 80 D0 23 C4 4A 02 00 00 30 AD 24 C4 4A 02 00 00 
{66} normal block at 0x0000024AC423CBD0, 16 bytes long.
 Data: < &#234;/&#232;&#246;           > 80 EA 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024AC423CD60, 16 bytes long.
 Data: <@&#233;/&#232;&#246;           > 40 E9 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024AC423CB80, 16 bytes long.
 Data: <&#248;W,&#232;&#246;           > F8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024AC423C4A0, 16 bytes long.
 Data: <&#216;W,&#232;&#246;           > D8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024AC423C950, 16 bytes long.
 Data: <P ,&#232;&#246;           > 50 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024AC423CA40, 16 bytes long.
 Data: <0 ,&#232;&#246;           > 30 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024AC423CAE0, 16 bytes long.
 Data: <&#224; ,&#232;&#246;           > E0 02 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024AC423C770, 16 bytes long.
 Data: <  ,&#232;&#246;           > 10 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024AC423C400, 16 bytes long.
 Data: <p ,&#232;&#246;           > 70 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024AC423C720, 16 bytes long.
 Data: < &#192;*&#232;&#246;           > 18 C0 2A E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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