Task 38685695

Name	test_837-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND4773_0
Workunit	31627156
Created	27 Oct 2026, 22:26:46 UTC
Sent	27 Oct 2026, 22:26:49 UTC
Report deadline	1 Nov 2026, 22:26:49 UTC
Received	28 Oct 2026, 1:41:00 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	623084
Run time	1 hours 8 min 9 sec
CPU time	1 hours 4 min 6 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	2,503.42 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	738.36 MB
Peak swap size	12.77 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:33:07 (19304): wrapper (7.9.26016): starting
09:33:07 (19304): 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
09:33:09 (19304): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:33:09 (19304): 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\34\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\34\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
10:40:22 (19304): C:/Windows/system32/cmd.exe exited; CPU time 3846.421875
10:40:22 (19304): called boinc_finish(0)
0 bytes in 0 Free Blocks.
464 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: 68108911 bytes.
Dumping objects ->
{3835600} normal block at 0x0000022C5515A0B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x0000022C5515A3C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835578} normal block at 0x0000022C55159DA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835567} normal block at 0x0000022C55159BE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x0000022C55159B00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835525} normal block at 0x0000022C57149EB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x0000022C5715F240, 104 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) : {3835511} normal block at 0x0000022C5512E290, 8 bytes long.
 Data: <  ]U,   > 00 00 5D 55 2C 02 00 00 
{3834797} normal block at 0x0000022C5715F3A0, 104 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834105} normal block at 0x0000022C5512E880, 8 bytes long.
 Data: <   U,   > 90 E5 20 55 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000022C55132B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000022C55126EF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x0000022C55136E90, 16 bytes long.
 Data: <xw U,           > 78 77 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000022C55137160, 16 bytes long.
 Data: <Pw U,           > 50 77 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000022C55130790, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000022C55136E40, 16 bytes long.
 Data: <(w U,           > 28 77 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000022C551369E0, 16 bytes long.
 Data: < w U,           > 00 77 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000022C55136710, 16 bytes long.
 Data: <&#216;v U,           > D8 76 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000022C55136DF0, 16 bytes long.
 Data: <&#176;v U,           > B0 76 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000022C55131510, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x0000022C55136DA0, 16 bytes long.
 Data: <8  U,           > 38 01 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022C55130310, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x0000022C55136990, 16 bytes long.
 Data: <   U,           > 10 01 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022C551368F0, 16 bytes long.
 Data: <   U,           > E8 00 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022C55136D50, 16 bytes long.
 Data: <&#192;  U,           > C0 00 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022C551370C0, 16 bytes long.
 Data: <   U,           > 98 00 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022C55136490, 16 bytes long.
 Data: <p  U,           > 70 00 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022C55136D00, 16 bytes long.
 Data: <H  U,           > 48 00 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022C55130550, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x0000022C55137340, 16 bytes long.
 Data: <   U,           > 20 00 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022C55130020, 320 bytes long.
 Data: <@s U,   P  U,   > 40 73 13 55 2C 02 00 00 50 05 13 55 2C 02 00 00 
{288} normal block at 0x0000022C55136850, 16 bytes long.
 Data: < v U,           > 90 76 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022C55137110, 16 bytes long.
 Data: <hv U,           > 68 76 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022C55130E50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x0000022C55136CB0, 16 bytes long.
 Data: <@v U,           > 40 76 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022C551304F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000022C55137250, 16 bytes long.
 Data: < u U,           > 88 75 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022C551366C0, 16 bytes long.
 Data: <`u U,           > 60 75 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022C55136760, 16 bytes long.
 Data: <8u U,           > 38 75 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022C55137070, 16 bytes long.
 Data: < u U,           > 10 75 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022C55136C10, 16 bytes long.
 Data: < t U,           > E8 74 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022C55136BC0, 16 bytes long.
 Data: <&#192;t U,           > C0 74 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022C551373E0, 16 bytes long.
 Data: <   U,           > 80 15 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022C55131580, 40 bytes long.
 Data: < s U,   &#176;  W,   > E0 73 13 55 2C 02 00 00 B0 9E 14 57 2C 02 00 00 
{274} normal block at 0x0000022C55136B70, 16 bytes long.
 Data: < t U,           > A0 74 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022C55136C60, 16 bytes long.
 Data: <xt U,           > 78 74 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022C55130730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x0000022C55136940, 16 bytes long.
 Data: <Pt U,           > 50 74 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022C55137450, 992 bytes long.
 Data: <@i U,   0  U,   > 40 69 13 55 2C 02 00 00 30 07 13 55 2C 02 00 00 
{106} normal block at 0x0000022C55130DF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x0000022C5512E830, 16 bytes long.
 Data: <   U,           > F0 15 13 55 2C 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000022C551315F0, 40 bytes long.
 Data: <0  U,      U,   > 30 E8 12 55 2C 02 00 00 F0 0D 13 55 2C 02 00 00 
{81} normal block at 0x0000022C5512E240, 16 bytes long.
 Data: <  -&#202;            > 80 EA 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000022C5512EE70, 16 bytes long.
 Data: <@ -&#202;            > 40 E9 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000022C5512E5B0, 16 bytes long.
 Data: < W*&#202;            > F8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000022C5512E150, 16 bytes long.
 Data: <&#216;W*&#202;            > D8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000022C5512E8D0, 16 bytes long.
 Data: <P *&#202;            > 50 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000022C5512ED30, 16 bytes long.
 Data: <0 *&#202;            > 30 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000022C5512E100, 16 bytes long.
 Data: <  *&#202;            > E0 02 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000022C5512E010, 16 bytes long.
 Data: <  *&#202;            > 10 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022C5512E3D0, 16 bytes long.
 Data: <p *&#202;            > 70 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022C5512E6F0, 16 bytes long.
 Data: < &#192;(&#202;            > 18 C0 28 CA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>