Task 38669678

Name test_147-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND3124_0
Workunit 31611994
Created 25 Oct 2026, 15:16:14 UTC
Sent 25 Oct 2026, 15:16:20 UTC
Report deadline 30 Oct 2026, 15:16:20 UTC
Received 25 Oct 2026, 16:12:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592657
Run time 27 min 32 sec
CPU time 25 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.94 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>
11:45:42 (9084): wrapper (7.9.26016): starting
11:45:42 (9084): 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
11:45:43 (9084): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:45:43 (9084): 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
12:12:06 (9084): C:/Windows/system32/cmd.exe exited; CPU time 1508.156250
12:12:06 (9084): 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: 46813969 bytes.
Dumping objects ->
{3835253} normal block at 0x0000023CD1BC55E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000023CD1BC4EE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000023CD1BC53B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000023CD1BC5570, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000023CD1BC59D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x0000023CD1B1C800, 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) : {3835165} normal block at 0x0000023CCFECD750, 8 bytes long.
 Data: <  &#234;&#207;<   > 00 00 EA CF 3C 02 00 00 
{3833995} normal block at 0x0000023CCFECCBC0, 8 bytes long.
 Data: <@&#166;&#187;&#209;<   > 40 A6 BB D1 3C 02 00 00 
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x0000023CCFEC7BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x0000023CCFEC92C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{313} normal block at 0x0000023CCFED57E0, 16 bytes long.
 Data: <hf&#237;&#207;<           > 68 66 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x0000023CCFED5C90, 16 bytes long.
 Data: <@f&#237;&#207;<           > 40 66 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000023CCFECE970, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{310} normal block at 0x0000023CCFED5BA0, 16 bytes long.
 Data: < f&#237;&#207;<           > 18 66 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000023CCFED6230, 16 bytes long.
 Data: <&#240;e&#237;&#207;<           > F0 65 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000023CCFED5790, 16 bytes long.
 Data: <&#200;e&#237;&#207;<           > C8 65 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000023CCFED5B50, 16 bytes long.
 Data: <&#160;e&#237;&#207;<           > A0 65 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000023CCFECFA10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{305} normal block at 0x0000023CCFED5830, 16 bytes long.
 Data: < &#217;&#235;&#207;<           > 98 D9 EB CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000023CCFECEF70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{303} normal block at 0x0000023CCFED60F0, 16 bytes long.
 Data: <p&#217;&#235;&#207;<           > 70 D9 EB CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000023CCFED6000, 16 bytes long.
 Data: <H&#217;&#235;&#207;<           > 48 D9 EB CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000023CCFED60A0, 16 bytes long.
 Data: < &#217;&#235;&#207;<           > 20 D9 EB CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023CCFED5A60, 16 bytes long.
 Data: <&#248;&#216;&#235;&#207;<           > F8 D8 EB CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023CCFED59C0, 16 bytes long.
 Data: <&#208;&#216;&#235;&#207;<           > D0 D8 EB CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023CCFED56F0, 16 bytes long.
 Data: <&#168;&#216;&#235;&#207;<           > A8 D8 EB CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023CCFECE910, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{295} normal block at 0x0000023CCFED5F60, 16 bytes long.
 Data: < &#216;&#235;&#207;<           > 80 D8 EB CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023CCFEBD880, 320 bytes long.
 Data: <`_&#237;&#207;<    &#233;&#236;&#207;<   > 60 5F ED CF 3C 02 00 00 10 E9 EC CF 3C 02 00 00 
{293} normal block at 0x0000023CCFED5510, 16 bytes long.
 Data: < e&#237;&#207;<           > 80 65 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023CCFED6190, 16 bytes long.
 Data: <Xe&#237;&#207;<           > 58 65 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023CCFECF6F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{290} normal block at 0x0000023CCFED5D30, 16 bytes long.
 Data: <0e&#237;&#207;<           > 30 65 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023CCFECF4B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{288} normal block at 0x0000023CCFED5740, 16 bytes long.
 Data: <xd&#237;&#207;<           > 78 64 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023CCFED5A10, 16 bytes long.
 Data: <Pd&#237;&#207;<           > 50 64 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023CCFED5C40, 16 bytes long.
 Data: <(d&#237;&#207;<           > 28 64 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023CCFED5B00, 16 bytes long.
 Data: < d&#237;&#207;<           > 00 64 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023CCFED5420, 16 bytes long.
 Data: <&#216;c&#237;&#207;<           > D8 63 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023CCFED54C0, 16 bytes long.
 Data: <&#176;c&#237;&#207;<           > B0 63 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023CCFED5F10, 16 bytes long.
 Data: < &#254;&#236;&#207;<           > 00 FE EC CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023CCFECFE00, 40 bytes long.
 Data: < _&#237;&#207;<    &#200;&#177;&#209;<   > 10 5F ED CF 3C 02 00 00 00 C8 B1 D1 3C 02 00 00 
{279} normal block at 0x0000023CCFED6050, 16 bytes long.
 Data: < c&#237;&#207;<           > 90 63 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023CCFED5600, 16 bytes long.
 Data: <hc&#237;&#207;<           > 68 63 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023CCFECF690, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{276} normal block at 0x0000023CCFED5E70, 16 bytes long.
 Data: <@c&#237;&#207;<           > 40 63 ED CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023CCFED6340, 992 bytes long.
 Data: <p^&#237;&#207;<    &#246;&#236;&#207;<   > 70 5E ED CF 3C 02 00 00 90 F6 EC CF 3C 02 00 00 
{111} normal block at 0x0000023CCFECEE50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{110} normal block at 0x0000023CCFECCA80, 16 bytes long.
 Data: < &#253;&#236;&#207;<           > 20 FD EC CF 3C 02 00 00 00 00 00 00 00 00 00 00 
{109} normal block at 0x0000023CCFECFD20, 40 bytes long.
 Data: < &#202;&#236;&#207;<   P&#238;&#236;&#207;<   > 80 CA EC CF 3C 02 00 00 50 EE EC CF 3C 02 00 00 
{88} normal block at 0x0000023CCFECC8F0, 16 bytes long.
 Data: < &#234;&#198;&#220;&#246;           > 80 EA C6 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000023CCFECD5C0, 16 bytes long.
 Data: <@&#233;&#198;&#220;&#246;           > 40 E9 C6 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000023CCFECD700, 16 bytes long.
 Data: <&#248;W&#195;&#220;&#246;           > F8 57 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000023CCFECCE90, 16 bytes long.
 Data: <&#216;W&#195;&#220;&#246;           > D8 57 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000023CCFECCB20, 16 bytes long.
 Data: <P &#195;&#220;&#246;           > 50 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000023CCFECC940, 16 bytes long.
 Data: <0 &#195;&#220;&#246;           > 30 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000023CCFECD570, 16 bytes long.
 Data: <&#224; &#195;&#220;&#246;           > E0 02 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000023CCFECD020, 16 bytes long.
 Data: <  &#195;&#220;&#246;           > 10 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000023CCFECCE40, 16 bytes long.
 Data: <p &#195;&#220;&#246;           > 70 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000023CCFECD2F0, 16 bytes long.
 Data: < &#192;&#193;&#220;&#246;           > 18 C0 C1 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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