Task 38683996

Name test_907-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND1048_0
Workunit 31625527
Created 27 Oct 2026, 14:16:53 UTC
Sent 27 Oct 2026, 14:16:57 UTC
Report deadline 1 Nov 2026, 14:16:57 UTC
Received 27 Oct 2026, 16:00:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627984
Run time 36 min 50 sec
CPU time 36 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,104.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.00 MB
Peak swap size 14.34 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:19:36 (5536): wrapper (7.9.26016): starting
17:19:36 (5536): 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
17:19:38 (5536): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:19:38 (5536): 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\21\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\21\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
17:59:09 (5536): C:/Windows/system32/cmd.exe exited; CPU time 2210.921875
17:59:09 (5536): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 51185265 bytes.
Dumping objects ->
{3835235} normal block at 0x000001CC79F71D00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001CC79F71A60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000001CC79F71590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x000001CC79F718A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001CC79F71B40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x000001CC7A0642F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000001CC782DAFC0, 180 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) : {3835145} normal block at 0x000001CC782B07E0, 8 bytes long.
 Data: <  %x&#204;   > 00 00 25 78 CC 01 00 00 
{3834543} normal block at 0x000001CC782DADE0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000001CC782B0560, 8 bytes long.
 Data: <`u-x&#204;   > 60 75 2D 78 CC 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001CC782B0BE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CC7829ABC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000001CC782A7690, 16 bytes long.
 Data: < 2+x&#204;           > 18 32 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CC782A74B0, 16 bytes long.
 Data: <&#240;1+x&#204;           > F0 31 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CC782ACAF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000001CC782A71E0, 16 bytes long.
 Data: <&#200;1+x&#204;           > C8 31 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CC782A7140, 16 bytes long.
 Data: <&#160;1+x&#204;           > A0 31 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CC782A70F0, 16 bytes long.
 Data: <x1+x&#204;           > 78 31 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CC782A7780, 16 bytes long.
 Data: <P1+x&#204;           > 50 31 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CC782ABBE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000001CC782A7460, 16 bytes long.
 Data: <&#184;&#187;)x&#204;           > B8 BB 29 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CC782AD570, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000001CC782A70A0, 16 bytes long.
 Data: <&#144;&#187;)x&#204;           > 90 BB 29 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CC782A6F60, 16 bytes long.
 Data: <h&#187;)x&#204;           > 68 BB 29 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CC782A6E70, 16 bytes long.
 Data: <@&#187;)x&#204;           > 40 BB 29 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CC782A6B00, 16 bytes long.
 Data: < &#187;)x&#204;           > 18 BB 29 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CC782B0510, 16 bytes long.
 Data: <&#240;&#186;)x&#204;           > F0 BA 29 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CC782B04C0, 16 bytes long.
 Data: <&#200;&#186;)x&#204;           > C8 BA 29 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CC782AD330, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000001CC782B0380, 16 bytes long.
 Data: <&#160;&#186;)x&#204;           > A0 BA 29 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CC7829BAA0, 320 bytes long.
 Data: <&#128; +x&#204;   0&#211;*x&#204;   > 80 03 2B 78 CC 01 00 00 30 D3 2A 78 CC 01 00 00 
{267} normal block at 0x000001CC782B0880, 16 bytes long.
 Data: <01+x&#204;           > 30 31 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CC782B0470, 16 bytes long.
 Data: < 1+x&#204;           > 08 31 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CC782ACD90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000001CC782B0330, 16 bytes long.
 Data: <&#224;0+x&#204;           > E0 30 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CC782AD090, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000001CC782B02E0, 16 bytes long.
 Data: <(0+x&#204;           > 28 30 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CC782B0740, 16 bytes long.
 Data: < 0+x&#204;           > 00 30 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CC782B0420, 16 bytes long.
 Data: <&#216;/+x&#204;           > D8 2F 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CC782B06F0, 16 bytes long.
 Data: <&#176;/+x&#204;           > B0 2F 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CC782B0920, 16 bytes long.
 Data: < /+x&#204;           > 88 2F 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CC782B05B0, 16 bytes long.
 Data: <`/+x&#204;           > 60 2F 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CC782B0A10, 16 bytes long.
 Data: <&#144;&#186;*x&#204;           > 90 BA 2A 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001CC782ABA90, 40 bytes long.
 Data: <  +x&#204;   &#240;B z&#204;   > 10 0A 2B 78 CC 01 00 00 F0 42 06 7A CC 01 00 00 
{253} normal block at 0x000001CC782B06A0, 16 bytes long.
 Data: <@/+x&#204;           > 40 2F 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001CC782B0830, 16 bytes long.
 Data: < /+x&#204;           > 18 2F 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001CC782ACA90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000001CC782B0790, 16 bytes long.
 Data: <&#240;.+x&#204;           > F0 2E 2B 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001CC782B2EF0, 992 bytes long.
 Data: <&#144; +x&#204;   &#144;&#202;*x&#204;   > 90 07 2B 78 CC 01 00 00 90 CA 2A 78 CC 01 00 00 
{85} normal block at 0x000001CC782ACCD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000001CC782A6DD0, 16 bytes long.
 Data: < &#183;*x&#204;           > 10 B7 2A 78 CC 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001CC782AB710, 40 bytes long.
 Data: <&#208;m*x&#204;   &#208;&#204;*x&#204;   > D0 6D 2A 78 CC 01 00 00 D0 CC 2A 78 CC 01 00 00 
{62} normal block at 0x000001CC782A7370, 16 bytes long.
 Data: <&#128;&#234;&#210;~&#246;           > 80 EA D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CC782A6D30, 16 bytes long.
 Data: <@&#233;&#210;~&#246;           > 40 E9 D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CC782A7820, 16 bytes long.
 Data: <&#248;W&#207;~&#246;           > F8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CC782A7050, 16 bytes long.
 Data: <&#216;W&#207;~&#246;           > D8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CC782A7500, 16 bytes long.
 Data: <P &#207;~&#246;           > 50 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001CC782A75A0, 16 bytes long.
 Data: <0 &#207;~&#246;           > 30 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001CC782A6CE0, 16 bytes long.
 Data: <&#224; &#207;~&#246;           > E0 02 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001CC782A7550, 16 bytes long.
 Data: <  &#207;~&#246;           > 10 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001CC782A7190, 16 bytes long.
 Data: <p &#207;~&#246;           > 70 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001CC782A73C0, 16 bytes long.
 Data: < &#192;&#205;~&#246;           > 18 C0 CD 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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