Task 38671697

Name test_948-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND7981_0
Workunit 31613886
Created 25 Oct 2026, 21:18:12 UTC
Sent 25 Oct 2026, 21:18:13 UTC
Report deadline 30 Oct 2026, 21:18:13 UTC
Received 25 Oct 2026, 22:19:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 29 min 22 sec
CPU time 27 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,986.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 810.23 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:50:16 (5868): wrapper (7.9.26016): starting
23:50:16 (5868): 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
23:50:17 (5868): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:50:17 (5868): 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
00:18:54 (5868): C:/Windows/system32/cmd.exe exited; CPU time 1652.140625
00:18:54 (5868): 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: 49224643 bytes.
Dumping objects ->
{3835491} normal block at 0x0000024C6937D110, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x0000024C6937CE70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x0000024C6937CBD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x0000024C67764ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000024C67764F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x0000024C693CB940, 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) : {3835403} normal block at 0x0000024C6775E030, 8 bytes long.
 Data: <  &#203;gL   > 00 00 CB 67 4C 02 00 00 
{3833963} normal block at 0x0000024C6775DC20, 8 bytes long.
 Data: < GvgL   > 20 47 76 67 4C 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024C677615C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024C677561B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000024C67765B70, 16 bytes long.
 Data: <xlvgL           > 78 6C 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024C67766200, 16 bytes long.
 Data: <PlvgL           > 50 6C 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024C677600D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000024C67766520, 16 bytes long.
 Data: <(lvgL           > 28 6C 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024C67765BC0, 16 bytes long.
 Data: < lvgL           > 00 6C 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024C67765B20, 16 bytes long.
 Data: <&#216;kvgL           > D8 6B 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024C67766430, 16 bytes long.
 Data: <&#176;kvgL           > B0 6B 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024C67765100, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000024C67765F30, 16 bytes long.
 Data: <&#168;&#245;tgL           > A8 F5 74 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024C6775F470, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000024C677665C0, 16 bytes long.
 Data: < &#245;tgL           > 80 F5 74 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024C67765C10, 16 bytes long.
 Data: <X&#245;tgL           > 58 F5 74 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024C677663E0, 16 bytes long.
 Data: <0&#245;tgL           > 30 F5 74 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024C67765AD0, 16 bytes long.
 Data: < &#245;tgL           > 08 F5 74 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024C677659E0, 16 bytes long.
 Data: <&#224;&#244;tgL           > E0 F4 74 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024C67765D50, 16 bytes long.
 Data: <&#184;&#244;tgL           > B8 F4 74 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024C67760010, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000024C67766390, 16 bytes long.
 Data: < &#244;tgL           > 90 F4 74 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024C6774F490, 320 bytes long.
 Data: < cvgL     vgL   > 90 63 76 67 4C 02 00 00 10 00 76 67 4C 02 00 00 
{277} normal block at 0x0000024C67765FD0, 16 bytes long.
 Data: < kvgL           > 90 6B 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024C67765EE0, 16 bytes long.
 Data: <hkvgL           > 68 6B 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024C67760130, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000024C67766750, 16 bytes long.
 Data: <@kvgL           > 40 6B 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024C6775F3B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000024C67765A80, 16 bytes long.
 Data: < jvgL           > 88 6A 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024C67765E90, 16 bytes long.
 Data: <`jvgL           > 60 6A 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024C67765DF0, 16 bytes long.
 Data: <8jvgL           > 38 6A 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024C67765DA0, 16 bytes long.
 Data: < jvgL           > 10 6A 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024C67766070, 16 bytes long.
 Data: <&#232;ivgL           > E8 69 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024C67766340, 16 bytes long.
 Data: <&#192;ivgL           > C0 69 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024C67765990, 16 bytes long.
 Data: < TvgL           > 80 54 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024C67765480, 40 bytes long.
 Data: < YvgL   @&#185;<iL   > 90 59 76 67 4C 02 00 00 40 B9 3C 69 4C 02 00 00 
{263} normal block at 0x0000024C67765A30, 16 bytes long.
 Data: <&#160;ivgL           > A0 69 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024C677662A0, 16 bytes long.
 Data: <xivgL           > 78 69 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024C6775FE90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000024C67765E40, 16 bytes long.
 Data: <PivgL           > 50 69 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024C67766950, 992 bytes long.
 Data: <@^vgL    &#254;ugL   > 40 5E 76 67 4C 02 00 00 90 FE 75 67 4C 02 00 00 
{95} normal block at 0x0000024C6775FEF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000024C6775D7C0, 16 bytes long.
 Data: <&#240;MvgL           > F0 4D 76 67 4C 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000024C67764DF0, 40 bytes long.
 Data: <&#192;&#215;ugL   &#240;&#254;ugL   > C0 D7 75 67 4C 02 00 00 F0 FE 75 67 4C 02 00 00 
{72} normal block at 0x0000024C6775DD60, 16 bytes long.
 Data: < &#234;&#249;P&#246;           > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024C6775DA40, 16 bytes long.
 Data: <@&#233;&#249;P&#246;           > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024C6775DB30, 16 bytes long.
 Data: <&#248;W&#246;P&#246;           > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024C6775D810, 16 bytes long.
 Data: <&#216;W&#246;P&#246;           > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024C6775D630, 16 bytes long.
 Data: <P &#246;P&#246;           > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024C6775DB80, 16 bytes long.
 Data: <0 &#246;P&#246;           > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024C6775D720, 16 bytes long.
 Data: <&#224; &#246;P&#246;           > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024C6775E260, 16 bytes long.
 Data: <  &#246;P&#246;           > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024C6775DBD0, 16 bytes long.
 Data: <p &#246;P&#246;           > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024C6775E300, 16 bytes long.
 Data: < &#192;&#244;P&#246;           > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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