Task 38666736

Name test_616-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND2206_0
Workunit 31609528
Created 25 Oct 2026, 4:32:04 UTC
Sent 25 Oct 2026, 4:41:37 UTC
Report deadline 30 Oct 2026, 4:41:37 UTC
Received 25 Oct 2026, 6:32:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652183
Run time 24 min 4 sec
CPU time 20 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.00 MB
Peak swap size 11.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:09:29 (6272): wrapper (7.9.26016): starting
00:09:29 (6272): 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
00:09:30 (6272): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:09:30 (6272): 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\14\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\14\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
00:32:44 (6272): C:/Windows/system32/cmd.exe exited; CPU time 1204.750000
00:32:44 (6272): 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: 28455257 bytes.
Dumping objects ->
{3835255} normal block at 0x0000017A45411CB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000017A45412110, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000017A45411D90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000017A45411EE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000017A45412030, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000017A471AA3B0, 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) : {3835167} normal block at 0x0000017A4540BBB0, 8 bytes long.
 Data: <  :Ez   > 00 00 3A 45 7A 01 00 00 
{3833957} normal block at 0x0000017A4540C5B0, 8 bytes long.
 Data: <  %Gz   > 20 0B 25 47 7A 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000017A4540E5D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017A454051D0, 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 0x0000017A45413560, 16 bytes long.
 Data: <&#184;*AEz           > B8 2A 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017A45413510, 16 bytes long.
 Data: < *AEz           > 90 2A 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017A4540CF20, 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 0x0000017A45413470, 16 bytes long.
 Data: <h*AEz           > 68 2A 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017A454133D0, 16 bytes long.
 Data: <@*AEz           > 40 2A 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017A45412ED0, 16 bytes long.
 Data: < *AEz           > 18 2A 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017A454130B0, 16 bytes long.
 Data: <&#240;)AEz           > F0 29 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017A454120A0, 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 0x0000017A454137E0, 16 bytes long.
 Data: <&#168;&#179;?Ez           > A8 B3 3F 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017A4540D1C0, 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 0x0000017A45413330, 16 bytes long.
 Data: < &#179;?Ez           > 80 B3 3F 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017A45413100, 16 bytes long.
 Data: <X&#179;?Ez           > 58 B3 3F 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017A45413B00, 16 bytes long.
 Data: <0&#179;?Ez           > 30 B3 3F 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017A45413AB0, 16 bytes long.
 Data: < &#179;?Ez           > 08 B3 3F 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017A454132E0, 16 bytes long.
 Data: <&#224;&#178;?Ez           > E0 B2 3F 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017A45412DE0, 16 bytes long.
 Data: <&#184;&#178;?Ez           > B8 B2 3F 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017A4540D400, 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 0x0000017A45412D90, 16 bytes long.
 Data: < &#178;?Ez           > 90 B2 3F 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017A453FB290, 320 bytes long.
 Data: < -AEz    &#212;@Ez   > 90 2D 41 45 7A 01 00 00 00 D4 40 45 7A 01 00 00 
{274} normal block at 0x0000017A45413970, 16 bytes long.
 Data: <&#208;)AEz           > D0 29 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017A45413420, 16 bytes long.
 Data: <&#168;)AEz           > A8 29 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017A4540CBC0, 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 0x0000017A45413920, 16 bytes long.
 Data: < )AEz           > 80 29 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017A4540D580, 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 0x0000017A45413380, 16 bytes long.
 Data: <&#200;(AEz           > C8 28 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017A45413010, 16 bytes long.
 Data: <&#160;(AEz           > A0 28 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017A454134C0, 16 bytes long.
 Data: <x(AEz           > 78 28 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017A45412E80, 16 bytes long.
 Data: <P(AEz           > 50 28 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017A45413060, 16 bytes long.
 Data: <((AEz           > 28 28 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017A4540C920, 16 bytes long.
 Data: < (AEz           > 00 28 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017A4540C8D0, 16 bytes long.
 Data: <&#240;!AEz           > F0 21 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017A454121F0, 40 bytes long.
 Data: <&#208;&#200;@Ez   &#176;&#163; Gz   > D0 C8 40 45 7A 01 00 00 B0 A3 1A 47 7A 01 00 00 
{260} normal block at 0x0000017A4540C060, 16 bytes long.
 Data: <&#224;'AEz           > E0 27 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017A4540C880, 16 bytes long.
 Data: <&#184;'AEz           > B8 27 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017A4540CEC0, 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 0x0000017A4540C010, 16 bytes long.
 Data: < 'AEz           > 90 27 41 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017A45412790, 992 bytes long.
 Data: < &#192;@Ez   &#192;&#206;@Ez   > 10 C0 40 45 7A 01 00 00 C0 CE 40 45 7A 01 00 00 
{92} normal block at 0x0000017A4540CD40, 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 0x0000017A4540CB00, 16 bytes long.
 Data: <P&#219;?Ez           > 50 DB 3F 45 7A 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000017A453FDB50, 40 bytes long.
 Data: < &#203;@Ez   @&#205;@Ez   > 00 CB 40 45 7A 01 00 00 40 CD 40 45 7A 01 00 00 
{69} normal block at 0x0000017A4540BE30, 16 bytes long.
 Data: < &#234; k&#247;           > 80 EA 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017A4540CAB0, 16 bytes long.
 Data: <@&#233; k&#247;           > 40 E9 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017A4540C0B0, 16 bytes long.
 Data: <&#248;W&#133;k&#247;           > F8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017A4540C6F0, 16 bytes long.
 Data: <&#216;W&#133;k&#247;           > D8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017A4540C380, 16 bytes long.
 Data: <P &#133;k&#247;           > 50 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017A4540C650, 16 bytes long.
 Data: <0 &#133;k&#247;           > 30 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017A4540CA60, 16 bytes long.
 Data: <&#224; &#133;k&#247;           > E0 02 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017A4540C9C0, 16 bytes long.
 Data: <  &#133;k&#247;           > 10 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017A4540C420, 16 bytes long.
 Data: <p &#133;k&#247;           > 70 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017A4540C600, 16 bytes long.
 Data: < &#192;&#131;k&#247;           > 18 C0 83 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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