Task 38662052

Name test_308-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND3323_1
Workunit 31605006
Created 24 Oct 2026, 17:01:12 UTC
Sent 24 Oct 2026, 17:41:32 UTC
Report deadline 29 Oct 2026, 17:41:32 UTC
Received 24 Oct 2026, 21:48:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602597
Run time 21 min 57 sec
CPU time 16 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,001.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.78 MB
Peak swap size 8.51 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:04:22 (40912): wrapper (7.9.26016): starting
11:04:22 (40912): 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
11:04:23 (40912): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:04:23 (40912): 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\16\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\16\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
11:25:28 (40912): C:/Windows/system32/cmd.exe exited; CPU time 991.531250
11:25:28 (40912): 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: 28186993 bytes.
Dumping objects ->
{3835198} normal block at 0x000001C3593D8850, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x000001C3593D8EE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x000001C3593D8540, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835165} normal block at 0x000001C3593D88C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001C3593D82A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835123} normal block at 0x000001C35B1243B0, 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) : {3835110} normal block at 0x000001C3593AB5C0, 8 bytes long.
 Data: <  &#239;Z&#195;   > 00 00 EF 5A C3 01 00 00 
{3833959} normal block at 0x000001C3593AAFD0, 8 bytes long.
 Data: <&#176;&#195;9Y&#195;   > B0 C3 39 59 C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C35939F2D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C3593A0280, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001C3593B51F0, 16 bytes long.
 Data: < _;Y&#195;           > 88 5F 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C3593B4FC0, 16 bytes long.
 Data: <`_;Y&#195;           > 60 5F 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C3593AD5C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001C3593B5060, 16 bytes long.
 Data: <8_;Y&#195;           > 38 5F 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C3593B5920, 16 bytes long.
 Data: < _;Y&#195;           > 10 5F 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C3593B58D0, 16 bytes long.
 Data: <&#232;^;Y&#195;           > E8 5E 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C3593B4F20, 16 bytes long.
 Data: <&#192;^;Y&#195;           > C0 5E 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C3593AEDA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001C3593B5100, 16 bytes long.
 Data: <h&#223;9Y&#195;           > 68 DF 39 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C3593AD380, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001C3593B5A60, 16 bytes long.
 Data: <@&#223;9Y&#195;           > 40 DF 39 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C3593B5BF0, 16 bytes long.
 Data: < &#223;9Y&#195;           > 18 DF 39 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C3593B5380, 16 bytes long.
 Data: <&#240;&#222;9Y&#195;           > F0 DE 39 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C3593B5A10, 16 bytes long.
 Data: <&#200;&#222;9Y&#195;           > C8 DE 39 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C3593B5880, 16 bytes long.
 Data: <&#160;&#222;9Y&#195;           > A0 DE 39 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C3593B57E0, 16 bytes long.
 Data: <x&#222;9Y&#195;           > 78 DE 39 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C3593ADC20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001C3593B5B50, 16 bytes long.
 Data: <P&#222;9Y&#195;           > 50 DE 39 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C35939DE50, 320 bytes long.
 Data: <P[;Y&#195;    &#220;:Y&#195;   > 50 5B 3B 59 C3 01 00 00 20 DC 3A 59 C3 01 00 00 
{275} normal block at 0x000001C3593B4D40, 16 bytes long.
 Data: <&#160;^;Y&#195;           > A0 5E 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C3593B5790, 16 bytes long.
 Data: <x^;Y&#195;           > 78 5E 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C3593AD800, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001C3593B5650, 16 bytes long.
 Data: <P^;Y&#195;           > 50 5E 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C3593AD8C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001C3593B50B0, 16 bytes long.
 Data: < ];Y&#195;           > 98 5D 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C3593B5150, 16 bytes long.
 Data: <p];Y&#195;           > 70 5D 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C3593B5600, 16 bytes long.
 Data: <H];Y&#195;           > 48 5D 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C3593B5BA0, 16 bytes long.
 Data: < ];Y&#195;           > 20 5D 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C3593B56A0, 16 bytes long.
 Data: <&#248;\;Y&#195;           > F8 5C 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C3593B5330, 16 bytes long.
 Data: <&#208;\;Y&#195;           > D0 5C 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C3593B4ED0, 16 bytes long.
 Data: <&#208;&#239;:Y&#195;           > D0 EF 3A 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C3593AEFD0, 40 bytes long.
 Data: <&#208;N;Y&#195;   &#176;C [&#195;   > D0 4E 3B 59 C3 01 00 00 B0 43 12 5B C3 01 00 00 
{261} normal block at 0x000001C3593B5740, 16 bytes long.
 Data: <&#176;\;Y&#195;           > B0 5C 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C3593B4E80, 16 bytes long.
 Data: < \;Y&#195;           > 88 5C 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C3593AD500, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001C3593B5290, 16 bytes long.
 Data: <`\;Y&#195;           > 60 5C 3B 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C3593B5C60, 992 bytes long.
 Data: < R;Y&#195;    &#213;:Y&#195;   > 90 52 3B 59 C3 01 00 00 00 D5 3A 59 C3 01 00 00 
{93} normal block at 0x000001C3593AD4A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001C3593AB110, 16 bytes long.
 Data: <P&#236;:Y&#195;           > 50 EC 3A 59 C3 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001C3593AEC50, 40 bytes long.
 Data: < &#177;:Y&#195;   &#160;&#212;:Y&#195;   > 10 B1 3A 59 C3 01 00 00 A0 D4 3A 59 C3 01 00 00 
{70} normal block at 0x000001C3593AAEE0, 16 bytes long.
 Data: < &#234;	w&#246;           > 80 EA 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C3593AAAD0, 16 bytes long.
 Data: <@&#233;	w&#246;           > 40 E9 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C3593AAE90, 16 bytes long.
 Data: <&#248;W w&#246;           > F8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C3593AAA80, 16 bytes long.
 Data: <&#216;W w&#246;           > D8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C3593AB2A0, 16 bytes long.
 Data: <P  w&#246;           > 50 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C3593AB520, 16 bytes long.
 Data: <0  w&#246;           > 30 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C3593AB4D0, 16 bytes long.
 Data: <&#224;  w&#246;           > E0 02 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C3593AAE40, 16 bytes long.
 Data: <   w&#246;           > 10 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C3593AB390, 16 bytes long.
 Data: <p  w&#246;           > 70 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C3593AADF0, 16 bytes long.
 Data: < &#192; w&#246;           > 18 C0 04 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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