Task 38654952

Name test_628-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND5475_0
Workunit 31598737
Created 24 Oct 2026, 8:09:53 UTC
Sent 24 Oct 2026, 8:10:33 UTC
Report deadline 29 Oct 2026, 8:10:33 UTC
Received 24 Oct 2026, 12:33:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650109
Run time 37 min 21 sec
CPU time 35 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.16 MB
Peak swap size 19.28 GB
Peak disk usage 4.15 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:56:57 (32496): wrapper (7.9.26016): starting
18:56:57 (32496): 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
18:56:59 (32496): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:56:59 (32496): 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\11\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\11\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
19:32:41 (32496): C:/Windows/system32/cmd.exe exited; CPU time 2126.906250
19:32:41 (32496): 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: 91718535 bytes.
Dumping objects ->
{3835337} normal block at 0x0000023554706D40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835326} normal block at 0x00000235547069C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835315} normal block at 0x0000023554707280, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835304} normal block at 0x0000023554706BF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835293} normal block at 0x0000023554706480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835262} normal block at 0x0000023556575FA0, 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) : {3835249} normal block at 0x00000235546E18D0, 8 bytes long.
 Data: <  kT5   > 00 00 6B 54 35 02 00 00 
{3833957} normal block at 0x00000235546E1830, 8 bytes long.
 Data: <`&#148;pT5   > 60 94 70 54 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000235546E1B40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000235546DD7E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000235546D7290, 16 bytes long.
 Data: <&#168;2nT5           > A8 32 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000235546D75B0, 16 bytes long.
 Data: < 2nT5           > 80 32 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000235546DBAE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000235546D71F0, 16 bytes long.
 Data: <X2nT5           > 58 32 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000235546D7100, 16 bytes long.
 Data: <02nT5           > 30 32 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000235546D6ED0, 16 bytes long.
 Data: < 2nT5           > 08 32 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000235546D6E80, 16 bytes long.
 Data: <&#224;1nT5           > E0 31 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000235546DE550, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000235546D6E30, 16 bytes long.
 Data: <&#248;&#181;lT5           > F8 B5 6C 54 35 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000235546DBA80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000235546D6D40, 16 bytes long.
 Data: <&#208;&#181;lT5           > D0 B5 6C 54 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000235546D7060, 16 bytes long.
 Data: <&#168;&#181;lT5           > A8 B5 6C 54 35 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000235546D7740, 16 bytes long.
 Data: < &#181;lT5           > 80 B5 6C 54 35 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000235546D6CF0, 16 bytes long.
 Data: <X&#181;lT5           > 58 B5 6C 54 35 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000235546E17E0, 16 bytes long.
 Data: <0&#181;lT5           > 30 B5 6C 54 35 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000235546E1790, 16 bytes long.
 Data: < &#181;lT5           > 08 B5 6C 54 35 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000235546DC680, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000235546E1560, 16 bytes long.
 Data: <&#224;&#180;lT5           > E0 B4 6C 54 35 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000235546CB4E0, 320 bytes long.
 Data: <` nT5    &#198;mT5   > 60 15 6E 54 35 02 00 00 80 C6 6D 54 35 02 00 00 
{274} normal block at 0x00000235546E14C0, 16 bytes long.
 Data: <&#192;1nT5           > C0 31 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000235546E1420, 16 bytes long.
 Data: < 1nT5           > 98 31 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000235546DBB40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000235546E13D0, 16 bytes long.
 Data: <p1nT5           > 70 31 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000235546DBDE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000235546E1380, 16 bytes long.
 Data: <&#184;0nT5           > B8 30 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000235546E1AB0, 16 bytes long.
 Data: < 0nT5           > 90 30 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000235546E1510, 16 bytes long.
 Data: <h0nT5           > 68 30 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000235546E1600, 16 bytes long.
 Data: <@0nT5           > 40 30 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000235546E1A10, 16 bytes long.
 Data: < 0nT5           > 18 30 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000235546E1880, 16 bytes long.
 Data: <&#240;/nT5           > F0 2F 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000235546E1740, 16 bytes long.
 Data: < &#224;mT5           > 80 E0 6D 54 35 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000235546DE080, 40 bytes long.
 Data: <@ nT5   &#160;_WV5   > 40 17 6E 54 35 02 00 00 A0 5F 57 56 35 02 00 00 
{260} normal block at 0x00000235546E1470, 16 bytes long.
 Data: <&#208;/nT5           > D0 2F 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000235546E1650, 16 bytes long.
 Data: <&#168;/nT5           > A8 2F 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000235546DB9C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000235546E16A0, 16 bytes long.
 Data: < /nT5           > 80 2F 6E 54 35 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000235546E2F80, 992 bytes long.
 Data: <&#160; nT5   &#192;&#185;mT5   > A0 16 6E 54 35 02 00 00 C0 B9 6D 54 35 02 00 00 
{92} normal block at 0x00000235546DC200, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000235546D70B0, 16 bytes long.
 Data: <&#192;&#229;mT5           > C0 E5 6D 54 35 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000235546DE5C0, 40 bytes long.
 Data: <&#176;pmT5    &#194;mT5   > B0 70 6D 54 35 02 00 00 00 C2 6D 54 35 02 00 00 
{69} normal block at 0x00000235546D7470, 16 bytes long.
 Data: < &#234;Z&#223;&#247;           > 80 EA 5A DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000235546D6D90, 16 bytes long.
 Data: <@&#233;Z&#223;&#247;           > 40 E9 5A DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000235546D7650, 16 bytes long.
 Data: <&#248;WW&#223;&#247;           > F8 57 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000235546D7010, 16 bytes long.
 Data: <&#216;WW&#223;&#247;           > D8 57 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000235546D7970, 16 bytes long.
 Data: <P W&#223;&#247;           > 50 04 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000235546D7830, 16 bytes long.
 Data: <0 W&#223;&#247;           > 30 04 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000235546D6AC0, 16 bytes long.
 Data: <&#224; W&#223;&#247;           > E0 02 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000235546D6B60, 16 bytes long.
 Data: <  W&#223;&#247;           > 10 04 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000235546D7330, 16 bytes long.
 Data: <p W&#223;&#247;           > 70 04 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000235546D74C0, 16 bytes long.
 Data: < &#192;U&#223;&#247;           > 18 C0 55 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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