Task 38683415

Name test_241-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND7909_1
Workunit 31615125
Created 27 Oct 2026, 11:43:31 UTC
Sent 27 Oct 2026, 11:43:37 UTC
Report deadline 1 Nov 2026, 11:43:37 UTC
Received 27 Oct 2026, 13:07:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653402
Run time 39 min 9 sec
CPU time 34 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.27 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:28:57 (29368): wrapper (7.9.26016): starting
08:28:57 (29368): 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
08:28:59 (29368): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:28:59 (29368): 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 'D:\BOINC\DATA\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 'D:\BOINC\DATA\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
09:06:33 (29368): C:/Windows/system32/cmd.exe exited; CPU time 2046.265625
09:06:33 (29368): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 43080279 bytes.
Dumping objects ->
{3835192} normal block at 0x000002BD09454E80, 48 bytes long.
 Data: <PATH=D:\BOINC\DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835181} normal block at 0x000002BD0B307180, 32 bytes long.
 Data: <HOME=D:\BOINC\DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835170} normal block at 0x000002BD0B3074E0, 32 bytes long.
 Data: <TMP=D:\BOINC\DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835159} normal block at 0x000002BD0B307360, 32 bytes long.
 Data: <TEMP=D:\BOINC\DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835148} normal block at 0x000002BD0B3075A0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835117} normal block at 0x000002BD09454E10, 48 bytes long.
 Data: <PATH=D:\BOINC\DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41 
..\api\boinc_api.cpp(309) : {3835104} normal block at 0x000002BD094518F0, 8 bytes long.
 Data: <  &#149;	&#189;   > 00 00 95 09 BD 02 00 00 
{3833957} normal block at 0x000002BD09451490, 8 bytes long.
 Data: < >1 &#189;   > 10 3E 31 0B BD 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002BD094466F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002BD09447E20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002BD094560B0, 16 bytes long.
 Data: <xYE	&#189;           > 78 59 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002BD09456010, 16 bytes long.
 Data: <PYE	&#189;           > 50 59 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BD094500B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002BD09456060, 16 bytes long.
 Data: <(YE	&#189;           > 28 59 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002BD094566A0, 16 bytes long.
 Data: < YE	&#189;           > 00 59 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BD094565B0, 16 bytes long.
 Data: <&#216;XE	&#189;           > D8 58 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002BD09455E30, 16 bytes long.
 Data: <&#176;XE	&#189;           > B0 58 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BD09454860, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002BD09456880, 16 bytes long.
 Data: <8UE	&#189;           > 38 55 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BD0944FCF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002BD09455CF0, 16 bytes long.
 Data: < UE	&#189;           > 10 55 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002BD094568D0, 16 bytes long.
 Data: <&#232;TE	&#189;           > E8 54 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BD09456650, 16 bytes long.
 Data: <&#192;TE	&#189;           > C0 54 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002BD09456560, 16 bytes long.
 Data: < TE	&#189;           > 98 54 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BD09456510, 16 bytes long.
 Data: <pTE	&#189;           > 70 54 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002BD09455E80, 16 bytes long.
 Data: <HTE	&#189;           > 48 54 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BD094501D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002BD09455BB0, 16 bytes long.
 Data: < TE	&#189;           > 20 54 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002BD09455420, 320 bytes long.
 Data: <&#176;[E	&#189;   &#208; E	&#189;   > B0 5B 45 09 BD 02 00 00 D0 01 45 09 BD 02 00 00 
{274} normal block at 0x000002BD09456240, 16 bytes long.
 Data: < XE	&#189;           > 90 58 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002BD094564C0, 16 bytes long.
 Data: <hXE	&#189;           > 68 58 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BD09450710, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002BD09455AC0, 16 bytes long.
 Data: <@XE	&#189;           > 40 58 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002BD0944FE10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002BD09456290, 16 bytes long.
 Data: < WE	&#189;           > 88 57 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002BD094561F0, 16 bytes long.
 Data: <`WE	&#189;           > 60 57 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002BD09455D90, 16 bytes long.
 Data: <8WE	&#189;           > 38 57 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BD09456920, 16 bytes long.
 Data: < WE	&#189;           > 10 57 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BD09451670, 16 bytes long.
 Data: <&#232;VE	&#189;           > E8 56 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BD09450AE0, 16 bytes long.
 Data: <&#192;VE	&#189;           > C0 56 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002BD09451210, 16 bytes long.
 Data: <`OE	&#189;           > 60 4F 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BD09454F60, 40 bytes long.
 Data: <  E	&#189;    NE	&#189;   > 10 12 45 09 BD 02 00 00 10 4E 45 09 BD 02 00 00 
{260} normal block at 0x000002BD09451620, 16 bytes long.
 Data: <&#160;VE	&#189;           > A0 56 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002BD09451170, 16 bytes long.
 Data: <xVE	&#189;           > 78 56 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BD09450830, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002BD09451080, 16 bytes long.
 Data: <PVE	&#189;           > 50 56 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002BD09455650, 992 bytes long.
 Data: <  E	&#189;   0 E	&#189;   > 80 10 45 09 BD 02 00 00 30 08 45 09 BD 02 00 00 
{92} normal block at 0x000002BD0944FDB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002BD094513F0, 16 bytes long.
 Data: <&#240;NE	&#189;           > F0 4E 45 09 BD 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002BD09454EF0, 40 bytes long.
 Data: <&#240; E	&#189;   &#176;&#253;D	&#189;   > F0 13 45 09 BD 02 00 00 B0 FD 44 09 BD 02 00 00 
{69} normal block at 0x000002BD09450EA0, 16 bytes long.
 Data: < &#234;]&#245;&#246;           > 80 EA 5D F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002BD09450E50, 16 bytes long.
 Data: <@&#233;]&#245;&#246;           > 40 E9 5D F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002BD094516C0, 16 bytes long.
 Data: <&#248;WZ&#245;&#246;           > F8 57 5A F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002BD09450C70, 16 bytes long.
 Data: <&#216;WZ&#245;&#246;           > D8 57 5A F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002BD09451710, 16 bytes long.
 Data: <P Z&#245;&#246;           > 50 04 5A F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BD094518A0, 16 bytes long.
 Data: <0 Z&#245;&#246;           > 30 04 5A F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BD09450FE0, 16 bytes long.
 Data: <&#224; Z&#245;&#246;           > E0 02 5A F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BD09451760, 16 bytes long.
 Data: <  Z&#245;&#246;           > 10 04 5A F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002BD094510D0, 16 bytes long.
 Data: <p Z&#245;&#246;           > 70 04 5A F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BD09451580, 16 bytes long.
 Data: < &#192;X&#245;&#246;           > 18 C0 58 F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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