Task 38665716

Name test_747-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND0473_0
Workunit 31608788
Created 25 Oct 2026, 1:28:22 UTC
Sent 25 Oct 2026, 2:01:24 UTC
Report deadline 30 Oct 2026, 2:01:24 UTC
Received 25 Oct 2026, 10:17:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 5 hours 23 min 41 sec
CPU time 5 hours 10 min 3 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.77 MB
Peak swap size 3.85 GB
Peak disk usage 3.50 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:08:36 (31284): wrapper (7.9.26016): starting
03:08:36 (31284): 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
03:08:38 (31284): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:08:38 (31284): 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 'E:\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 'E:\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
08:30:02 (31284): C:/Windows/system32/cmd.exe exited; CPU time 18603.015625
08:30:02 (31284): 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: 360022533 bytes.
Dumping objects ->
{3835197} normal block at 0x00000277CDCBE660, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x00000277CF815540, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x00000277CF815900, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x00000277CF8167A0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x00000277CF8160E0, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x00000277CDCBEAC0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x00000277CDCB87F0, 8 bytes long.
 Data: <  &#142;&#207;w   > 00 00 8E CF 77 02 00 00 
{3833953} normal block at 0x00000277CDCB7D50, 8 bytes long.
 Data: <&#208; &#206;&#205;w   > D0 8D CE CD 77 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000277CDCC2F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000277CDCAC000, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000277CDCC4B00, 16 bytes long.
 Data: <&#248;R&#204;&#205;w           > F8 52 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000277CDCC4E20, 16 bytes long.
 Data: <&#208;R&#204;&#205;w           > D0 52 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000277CDCBCDB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x00000277CDCC4790, 16 bytes long.
 Data: <&#168;R&#204;&#205;w           > A8 52 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000277CDCC4920, 16 bytes long.
 Data: < R&#204;&#205;w           > 80 52 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000277CDCC4A10, 16 bytes long.
 Data: <XR&#204;&#205;w           > 58 52 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000277CDCC4600, 16 bytes long.
 Data: <0R&#204;&#205;w           > 30 52 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000277CDCBEBA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000277CDCC45B0, 16 bytes long.
 Data: <&#216;`&#202;&#205;w           > D8 60 CA CD 77 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000277CDCBCAB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000277CDCC4380, 16 bytes long.
 Data: <&#176;`&#202;&#205;w           > B0 60 CA CD 77 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000277CDCC42E0, 16 bytes long.
 Data: < `&#202;&#205;w           > 88 60 CA CD 77 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000277CDCC4830, 16 bytes long.
 Data: <``&#202;&#205;w           > 60 60 CA CD 77 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000277CDCC41F0, 16 bytes long.
 Data: <8`&#202;&#205;w           > 38 60 CA CD 77 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000277CDCC41A0, 16 bytes long.
 Data: < `&#202;&#205;w           > 10 60 CA CD 77 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000277CDCC43D0, 16 bytes long.
 Data: <&#232;_&#202;&#205;w           > E8 5F CA CD 77 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000277CDCBD590, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000277CDCC49C0, 16 bytes long.
 Data: <&#192;_&#202;&#205;w           > C0 5F CA CD 77 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000277CDCA5FC0, 320 bytes long.
 Data: <&#192;I&#204;&#205;w    &#213;&#203;&#205;w   > C0 49 CC CD 77 02 00 00 90 D5 CB CD 77 02 00 00 
{272} normal block at 0x00000277CDCC4510, 16 bytes long.
 Data: < R&#204;&#205;w           > 10 52 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000277CDCC4D80, 16 bytes long.
 Data: <&#232;Q&#204;&#205;w           > E8 51 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000277CDCBCD50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000277CDCC4DD0, 16 bytes long.
 Data: <&#192;Q&#204;&#205;w           > C0 51 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000277CDCBD530, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000277CDCC4290, 16 bytes long.
 Data: < Q&#204;&#205;w           > 08 51 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000277CDCC47E0, 16 bytes long.
 Data: <&#224;P&#204;&#205;w           > E0 50 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000277CDCC4150, 16 bytes long.
 Data: <&#184;P&#204;&#205;w           > B8 50 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000277CDCC46A0, 16 bytes long.
 Data: < P&#204;&#205;w           > 90 50 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000277CDCC4D30, 16 bytes long.
 Data: <hP&#204;&#205;w           > 68 50 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000277CDCC4100, 16 bytes long.
 Data: <@P&#204;&#205;w           > 40 50 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000277CDCC4CE0, 16 bytes long.
 Data: < &#233;&#203;&#205;w           > 00 E9 CB CD 77 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000277CDCBE900, 40 bytes long.
 Data: <&#224;L&#204;&#205;w   &#192;&#234;&#203;&#205;w   > E0 4C CC CD 77 02 00 00 C0 EA CB CD 77 02 00 00 
{258} normal block at 0x00000277CDCC48D0, 16 bytes long.
 Data: < P&#204;&#205;w           > 20 50 CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000277CDCC4EC0, 16 bytes long.
 Data: <&#248;O&#204;&#205;w           > F8 4F CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000277CDCBD0B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000277CDCC4740, 16 bytes long.
 Data: <&#208;O&#204;&#205;w           > D0 4F CC CD 77 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000277CDCC4FD0, 992 bytes long.
 Data: <@G&#204;&#205;w   &#176;&#208;&#203;&#205;w   > 40 47 CC CD 77 02 00 00 B0 D0 CB CD 77 02 00 00 
{90} normal block at 0x00000277CDCBC810, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x00000277CDCB7A80, 16 bytes long.
 Data: <&#160;&#228;&#203;&#205;w           > A0 E4 CB CD 77 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000277CDCBE4A0, 40 bytes long.
 Data: < z&#203;&#205;w    &#200;&#203;&#205;w   > 80 7A CB CD 77 02 00 00 10 C8 CB CD 77 02 00 00 
{67} normal block at 0x00000277CDCB85C0, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000277CDCB7D00, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000277CDCB7DA0, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000277CDCB7A30, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000277CDCB79E0, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000277CDCB8020, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000277CDCB7CB0, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000277CDCB88E0, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000277CDCB8480, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000277CDCB8700, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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