Task 38698774

Name test_154-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND5883_0
Workunit 31639261
Created 3 Nov 2026, 2:14:52 UTC
Sent 3 Nov 2026, 2:14:58 UTC
Report deadline 8 Nov 2026, 2:14:58 UTC
Received 3 Nov 2026, 3:10:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654967
Run time 53 min 8 sec
CPU time 52 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 671.76 MB
Peak swap size 6.83 GB
Peak disk usage 3.59 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
02:16:54 (1372): wrapper (7.9.26016): starting
02:16:54 (1372): 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
02:16:55 (1372): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:16:55 (1372): 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 'D:\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 'D:\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
03:09:24 (1372): C:/Windows/system32/cmd.exe exited; CPU time 3139.640625
03:09:24 (1372): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 36954741 bytes.
Dumping objects ->
{3835313} normal block at 0x000001626AE46960, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835302} normal block at 0x000001626AE47140, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x000001626AE46E30, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835280} normal block at 0x000001626931B130, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000001626931B830, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835238} normal block at 0x000001626ADEB0A0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000016269319330, 200 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) : {3835224} normal block at 0x0000016269316E40, 8 bytes long.
 Data: <  &#187;jb   > 00 00 BB 6A 62 01 00 00 
{3834581} normal block at 0x0000016269319BB0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000162693163F0, 8 bytes long.
 Data: <&#192;j&#216;jb   > C0 6A D8 6A 62 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000016269321190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016269305C50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000162693224F0, 16 bytes long.
 Data: < 62ib           > 88 36 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000162693224A0, 16 bytes long.
 Data: <`62ib           > 60 36 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001626931CF80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000016269322BD0, 16 bytes long.
 Data: <862ib           > 38 36 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016269322B80, 16 bytes long.
 Data: < 62ib           > 10 36 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016269322B30, 16 bytes long.
 Data: <&#232;52ib           > E8 35 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016269322450, 16 bytes long.
 Data: <&#192;52ib           > C0 35 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001626931B2F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000016269322310, 16 bytes long.
 Data: <&#232;[0ib           > E8 5B 30 69 62 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001626931D040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000016269322A90, 16 bytes long.
 Data: <&#192;[0ib           > C0 5B 30 69 62 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016269322A40, 16 bytes long.
 Data: < [0ib           > 98 5B 30 69 62 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000162693229A0, 16 bytes long.
 Data: <p[0ib           > 70 5B 30 69 62 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000162693222C0, 16 bytes long.
 Data: <H[0ib           > 48 5B 30 69 62 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016269322950, 16 bytes long.
 Data: < [0ib           > 20 5B 30 69 62 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016269322DB0, 16 bytes long.
 Data: <&#248;Z0ib           > F8 5A 30 69 62 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001626931D220, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000016269322EF0, 16 bytes long.
 Data: <&#208;Z0ib           > D0 5A 30 69 62 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016269305AD0, 320 bytes long.
 Data: <&#240;.2ib    &#210;1ib   > F0 2E 32 69 62 01 00 00 20 D2 31 69 62 01 00 00 
{269} normal block at 0x0000016269322400, 16 bytes long.
 Data: <&#160;52ib           > A0 35 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016269322540, 16 bytes long.
 Data: <x52ib           > 78 35 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001626931CE00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000162693227C0, 16 bytes long.
 Data: <P52ib           > 50 35 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001626931CB60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000016269322AE0, 16 bytes long.
 Data: < 42ib           > 98 34 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016269322130, 16 bytes long.
 Data: <p42ib           > 70 34 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000162693228B0, 16 bytes long.
 Data: <H42ib           > 48 34 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016269322EA0, 16 bytes long.
 Data: < 42ib           > 20 34 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016269322D10, 16 bytes long.
 Data: <&#248;32ib           > F8 33 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016269322E50, 16 bytes long.
 Data: <&#208;32ib           > D0 33 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000162693223B0, 16 bytes long.
 Data: < &#178;1ib           > 80 B2 31 69 62 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001626931B280, 40 bytes long.
 Data: <&#176;#2ib   &#160;&#176;&#222;jb   > B0 23 32 69 62 01 00 00 A0 B0 DE 6A 62 01 00 00 
{255} normal block at 0x0000016269322720, 16 bytes long.
 Data: <&#176;32ib           > B0 33 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000162693220E0, 16 bytes long.
 Data: < 32ib           > 88 33 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001626931C980, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000016269322090, 16 bytes long.
 Data: <`32ib           > 60 33 32 69 62 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000016269323360, 992 bytes long.
 Data: <  2ib    &#201;1ib   > 90 20 32 69 62 01 00 00 80 C9 31 69 62 01 00 00 
{87} normal block at 0x000001626931D160, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000016269316490, 16 bytes long.
 Data: < &#178;1ib           > 10 B2 31 69 62 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001626931B210, 40 bytes long.
 Data: < d1ib   `&#209;1ib   > 90 64 31 69 62 01 00 00 60 D1 31 69 62 01 00 00 
{64} normal block at 0x0000016269316D00, 16 bytes long.
 Data: < &#234;Z&#227;&#246;           > 80 EA 5A E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016269316C10, 16 bytes long.
 Data: <@&#233;Z&#227;&#246;           > 40 E9 5A E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016269316BC0, 16 bytes long.
 Data: <&#248;WW&#227;&#246;           > F8 57 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000162693166C0, 16 bytes long.
 Data: <&#216;WW&#227;&#246;           > D8 57 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016269316A80, 16 bytes long.
 Data: <P W&#227;&#246;           > 50 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016269316850, 16 bytes long.
 Data: <0 W&#227;&#246;           > 30 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016269316670, 16 bytes long.
 Data: <&#224; W&#227;&#246;           > E0 02 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016269317070, 16 bytes long.
 Data: <  W&#227;&#246;           > 10 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000016269316B70, 16 bytes long.
 Data: <p W&#227;&#246;           > 70 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000016269316B20, 16 bytes long.
 Data: < &#192;U&#227;&#246;           > 18 C0 55 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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