Task 38682533

Name test_604-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5140_0
Workunit 31624139
Created 27 Oct 2026, 8:08:04 UTC
Sent 27 Oct 2026, 8:08:10 UTC
Report deadline 1 Nov 2026, 8:08:10 UTC
Received 27 Oct 2026, 8:51:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645746
Run time 42 min 30 sec
CPU time 36 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.96 MB
Peak swap size 8.37 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:09:38 (9788): wrapper (7.9.26016): starting
04:09:38 (9788): 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
04:09:39 (9788): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:09:39 (9788): 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\17\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\17\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
04:50:48 (9788): C:/Windows/system32/cmd.exe exited; CPU time 2213.609375
04:50:48 (9788): 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: 40329489 bytes.
Dumping objects ->
{3835189} normal block at 0x0000000000584B70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835178} normal block at 0x00000000005849B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x0000000000584780, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835156} normal block at 0x0000000000584B00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x00000000005848D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835114} normal block at 0x00000000024E8F10, 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) : {3835100} normal block at 0x000000000057FFC0, 8 bytes long.
 Data: <  &#132;     > 00 00 84 00 00 00 00 00 
{3833951} normal block at 0x000000000057F9D0, 8 bytes long.
 Data: <&#224;7T     > E0 37 54 02 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000000000580B20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000000000056F570, 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 0x0000000000585F20, 16 bytes long.
 Data: < UX             > 18 55 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000000000586420, 16 bytes long.
 Data: <&#240;TX             > F0 54 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000000000057EC40, 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 0x0000000000585D40, 16 bytes long.
 Data: <&#200;TX             > C8 54 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000000000585C50, 16 bytes long.
 Data: <&#160;TX             > A0 54 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000000000585E30, 16 bytes long.
 Data: <xTX             > 78 54 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000000000586240, 16 bytes long.
 Data: <PTX             > 50 54 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000000000584BE0, 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 0x0000000000585930, 16 bytes long.
 Data: <&#232; W             > E8 02 57 00 00 00 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000000000057EBE0, 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 0x00000000005861F0, 16 bytes long.
 Data: <&#192; W             > C0 02 57 00 00 00 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000000005863D0, 16 bytes long.
 Data: <  W             > 98 02 57 00 00 00 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000000005858E0, 16 bytes long.
 Data: <p W             > 70 02 57 00 00 00 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000000005857F0, 16 bytes long.
 Data: <H W             > 48 02 57 00 00 00 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000000000585AC0, 16 bytes long.
 Data: <  W             > 20 02 57 00 00 00 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000000000586380, 16 bytes long.
 Data: <&#248; W             > F8 01 57 00 00 00 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000000000057F180, 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 0x0000000000585A70, 16 bytes long.
 Data: <&#208; W             > D0 01 57 00 00 00 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000000005701D0, 320 bytes long.
 Data: <pZX      &#241;W     > 70 5A 58 00 00 00 00 00 80 F1 57 00 00 00 00 00 
{271} normal block at 0x00000000005864C0, 16 bytes long.
 Data: <0TX             > 30 54 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000000000585750, 16 bytes long.
 Data: < TX             > 08 54 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000000000057EF40, 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 0x0000000000585C00, 16 bytes long.
 Data: <&#224;SX             > E0 53 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000000000057E9A0, 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 0x0000000000586470, 16 bytes long.
 Data: <(SX             > 28 53 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000000000585ED0, 16 bytes long.
 Data: < SX             > 00 53 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000000000585BB0, 16 bytes long.
 Data: <&#216;RX             > D8 52 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000000005865B0, 16 bytes long.
 Data: <&#176;RX             > B0 52 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000000000057FF70, 16 bytes long.
 Data: < RX             > 88 52 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000000005801A0, 16 bytes long.
 Data: <`RX             > 60 52 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000000000057FF20, 16 bytes long.
 Data: < JX             > 20 4A 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000000000584A20, 40 bytes long.
 Data: < &#255;W       N     > 20 FF 57 00 00 00 00 00 10 8F 4E 02 00 00 00 00 
{257} normal block at 0x000000000057FCF0, 16 bytes long.
 Data: <@RX             > 40 52 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000000000580240, 16 bytes long.
 Data: < RX             > 18 52 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000000000057ED60, 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 0x0000000000580150, 16 bytes long.
 Data: <&#240;QX             > F0 51 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000000005851F0, 992 bytes long.
 Data: <P X     `&#237;W     > 50 01 58 00 00 00 00 00 60 ED 57 00 00 00 00 00 
{89} normal block at 0x000000000057E6A0, 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 0x0000000000580060, 16 bytes long.
 Data: < &#199;V             > 80 C7 56 00 00 00 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000000000056C780, 40 bytes long.
 Data: <` X     &#160;&#230;W     > 60 00 58 00 00 00 00 00 A0 E6 57 00 00 00 00 00 
{66} normal block at 0x000000000057F660, 16 bytes long.
 Data: < &#234;Wf&#247;           > 80 EA 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000000000057F7F0, 16 bytes long.
 Data: <@&#233;Wf&#247;           > 40 E9 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000000005803D0, 16 bytes long.
 Data: <&#248;WTf&#247;           > F8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000000000057FD90, 16 bytes long.
 Data: <&#216;WTf&#247;           > D8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000000000057FA20, 16 bytes long.
 Data: <P Tf&#247;           > 50 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000000000580380, 16 bytes long.
 Data: <0 Tf&#247;           > 30 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000000000057FDE0, 16 bytes long.
 Data: <&#224; Tf&#247;           > E0 02 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000000000057FD40, 16 bytes long.
 Data: <  Tf&#247;           > 10 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000000000580420, 16 bytes long.
 Data: <p Tf&#247;           > 70 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000000000580330, 16 bytes long.
 Data: < &#192;Rf&#247;           > 18 C0 52 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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