Task 38694233

Name test_547-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND6698_0
Workunit 31634996
Created 30 Oct 2026, 19:46:29 UTC
Sent 30 Oct 2026, 19:46:36 UTC
Report deadline 4 Nov 2026, 19:46:36 UTC
Received 2 Nov 2026, 14:47:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643126
Run time 2 hours 32 min 37 sec
CPU time 1 hours 46 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,199.71 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 636.50 MB
Peak swap size 2.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
12:02:58 (6768): wrapper (7.9.26016): starting
12:02:58 (6768): 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
12:07:37 (6768): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:07:37 (6768): 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
15:39:25 (6768): C:/Windows/system32/cmd.exe exited; CPU time 6363.187500
15:39:25 (6768): 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: 121603605 bytes.
Dumping objects ->
{3835190} normal block at 0x000001FB11AE6720, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000001FB11AE6B10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835168} normal block at 0x000001FB11AE6DB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835157} normal block at 0x000001FB11AE6170, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x000001FB1001B160, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835115} normal block at 0x000001FB11B1B8A0, 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) : {3835101} normal block at 0x000001FB10016E70, 8 bytes long.
 Data: <    &#251;   > 00 00 8D 11 FB 01 00 00 
{3833949} normal block at 0x000001FB10016790, 8 bytes long.
 Data: <  &#174; &#251;   > 00 0B AE 11 FB 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001FB10020D50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FB100059F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001FB10022240, 16 bytes long.
 Data: < 3  &#251;           > 88 33 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FB10022BF0, 16 bytes long.
 Data: <`3  &#251;           > 60 33 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FB1001C2D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001FB100221F0, 16 bytes long.
 Data: <83  &#251;           > 38 33 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FB10021F70, 16 bytes long.
 Data: < 3  &#251;           > 10 33 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FB10021F20, 16 bytes long.
 Data: <&#232;2  &#251;           > E8 32 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FB10022510, 16 bytes long.
 Data: <&#192;2  &#251;           > C0 32 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FB1001B630, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001FB100229C0, 16 bytes long.
 Data: <&#216;&#174;  &#251;           > D8 AE 00 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FB1001CED0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001FB100221A0, 16 bytes long.
 Data: <&#176;&#174;  &#251;           > B0 AE 00 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FB10022B50, 16 bytes long.
 Data: < &#174;  &#251;           > 88 AE 00 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FB10021E30, 16 bytes long.
 Data: <`&#174;  &#251;           > 60 AE 00 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FB100225B0, 16 bytes long.
 Data: <8&#174;  &#251;           > 38 AE 00 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FB10021CF0, 16 bytes long.
 Data: < &#174;  &#251;           > 10 AE 00 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FB10021ED0, 16 bytes long.
 Data: <&#232;&#173;  &#251;           > E8 AD 00 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FB1001C990, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001FB10021DE0, 16 bytes long.
 Data: <&#192;&#173;  &#251;           > C0 AD 00 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FB1000ADC0, 320 bytes long.
 Data: <&#224;   &#251;    &#201;  &#251;   > E0 1D 02 10 FB 01 00 00 90 C9 01 10 FB 01 00 00 
{270} normal block at 0x000001FB10022420, 16 bytes long.
 Data: <&#160;2  &#251;           > A0 32 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FB10022B00, 16 bytes long.
 Data: <x2  &#251;           > 78 32 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FB1001CE70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001FB10022470, 16 bytes long.
 Data: <P2  &#251;           > 50 32 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FB1001CFF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001FB10022380, 16 bytes long.
 Data: < 1  &#251;           > 98 31 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FB100226F0, 16 bytes long.
 Data: <p1  &#251;           > 70 31 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FB10022150, 16 bytes long.
 Data: <H1  &#251;           > 48 31 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FB10022600, 16 bytes long.
 Data: < 1  &#251;           > 20 31 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FB100220B0, 16 bytes long.
 Data: <&#248;0  &#251;           > F8 30 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FB10022650, 16 bytes long.
 Data: <&#208;0  &#251;           > D0 30 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FB10022AB0, 16 bytes long.
 Data: < &#180;  &#251;           > 00 B4 01 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FB1001B400, 40 bytes long.
 Data: <&#176;*  &#251;   &#160;&#184;&#177; &#251;   > B0 2A 02 10 FB 01 00 00 A0 B8 B1 11 FB 01 00 00 
{256} normal block at 0x000001FB10022010, 16 bytes long.
 Data: <&#176;0  &#251;           > B0 30 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FB10022A60, 16 bytes long.
 Data: < 0  &#251;           > 88 30 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FB1001C8D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001FB10021D40, 16 bytes long.
 Data: <`0  &#251;           > 60 30 02 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001FB10023060, 992 bytes long.
 Data: <@   &#251;   &#208;&#200;  &#251;   > 40 1D 02 10 FB 01 00 00 D0 C8 01 10 FB 01 00 00 
{88} normal block at 0x000001FB1001CBD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001FB10016B00, 16 bytes long.
 Data: < &#176;  &#251;           > 10 B0 01 10 FB 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001FB1001B010, 40 bytes long.
 Data: < k  &#251;   &#208;&#203;  &#251;   > 00 6B 01 10 FB 01 00 00 D0 CB 01 10 FB 01 00 00 
{65} normal block at 0x000001FB10016830, 16 bytes long.
 Data: < &#234;&#253;N&#247;           > 80 EA FD 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FB10016FB0, 16 bytes long.
 Data: <@&#233;&#253;N&#247;           > 40 E9 FD 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FB100165B0, 16 bytes long.
 Data: <&#248;W&#250;N&#247;           > F8 57 FA 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FB10016F60, 16 bytes long.
 Data: <&#216;W&#250;N&#247;           > D8 57 FA 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FB10016F10, 16 bytes long.
 Data: <P &#250;N&#247;           > 50 04 FA 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FB10016560, 16 bytes long.
 Data: <0 &#250;N&#247;           > 30 04 FA 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FB100164C0, 16 bytes long.
 Data: <&#224; &#250;N&#247;           > E0 02 FA 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FB10017050, 16 bytes long.
 Data: <  &#250;N&#247;           > 10 04 FA 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FB100162E0, 16 bytes long.
 Data: <p &#250;N&#247;           > 70 04 FA 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FB10016650, 16 bytes long.
 Data: < &#192;&#248;N&#247;           > 18 C0 F8 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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