Task 38653059

Name test_624-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND0684_1
Workunit 31596590
Created 24 Oct 2026, 4:58:37 UTC
Sent 24 Oct 2026, 5:06:12 UTC
Report deadline 29 Oct 2026, 5:06:12 UTC
Received 24 Oct 2026, 6:44:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630577
Run time 31 min 54 sec
CPU time 28 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.06 MB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:13:37 (5504): wrapper (7.9.26016): starting
08:13:37 (5504): 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
08:13:38 (5504): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:13:38 (5504): 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:\BoincData\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:\BoincData\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
08:43:57 (5504): C:/Windows/system32/cmd.exe exited; CPU time 1699.218750
08:43:57 (5504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 24925991 bytes.
Dumping objects ->
{3835268} normal block at 0x000001D1EB3F0990, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835257} normal block at 0x000001D1EB535C50, 32 bytes long.
 Data: <HOME=D:\BoincDat> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835246} normal block at 0x000001D1EB535AD0, 32 bytes long.
 Data: <TMP=D:\BoincData> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835235} normal block at 0x000001D1EB535BF0, 32 bytes long.
 Data: <TEMP=D:\BoincDat> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835224} normal block at 0x000001D1EB535DD0, 32 bytes long.
 Data: <TMPDIR=D:\BoincD> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 44 
{3835193} normal block at 0x000001D1EB3F1170, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835182} normal block at 0x000001D1EB4FD550, 102 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) : {3835179} normal block at 0x000001D1E9986600, 8 bytes long.
 Data: <  &#148;&#233;&#209;   > 00 00 94 E9 D1 01 00 00 
{3834558} normal block at 0x000001D1EB4FD970, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001D1E9986CE0, 8 bytes long.
 Data: <&#160;&#132;S&#235;&#209;   > A0 84 53 EB D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001D1E99912F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D1E9975EC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001D1E9992F10, 16 bytes long.
 Data: <(9 &#233;&#209;           > 28 39 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D1E9992600, 16 bytes long.
 Data: < 9 &#233;&#209;           > 00 39 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D1E998D240, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001D1E9993050, 16 bytes long.
 Data: <&#216;8 &#233;&#209;           > D8 38 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D1E9992880, 16 bytes long.
 Data: <&#176;8 &#233;&#209;           > B0 38 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D1E9992510, 16 bytes long.
 Data: < 8 &#233;&#209;           > 88 38 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D1E99930F0, 16 bytes long.
 Data: <`8 &#233;&#209;           > 60 38 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D1E998B810, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001D1E99929C0, 16 bytes long.
 Data: <X^&#151;&#233;&#209;           > 58 5E 97 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D1E998DC00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001D1E99924C0, 16 bytes long.
 Data: <0^&#151;&#233;&#209;           > 30 5E 97 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D1E9992E70, 16 bytes long.
 Data: < ^&#151;&#233;&#209;           > 08 5E 97 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D1E99928D0, 16 bytes long.
 Data: <&#224;]&#151;&#233;&#209;           > E0 5D 97 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D1E9992BF0, 16 bytes long.
 Data: <&#184;]&#151;&#233;&#209;           > B8 5D 97 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D1E99925B0, 16 bytes long.
 Data: < ]&#151;&#233;&#209;           > 90 5D 97 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D1E9992380, 16 bytes long.
 Data: <h]&#151;&#233;&#209;           > 68 5D 97 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D1E998CE20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001D1E9992740, 16 bytes long.
 Data: <@]&#151;&#233;&#209;           > 40 5D 97 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D1E9975D40, 320 bytes long.
 Data: <@' &#233;&#209;    &#206; &#233;&#209;   > 40 27 99 E9 D1 01 00 00 20 CE 98 E9 D1 01 00 00 
{271} normal block at 0x000001D1E9992330, 16 bytes long.
 Data: <@8 &#233;&#209;           > 40 38 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D1E9992470, 16 bytes long.
 Data: < 8 &#233;&#209;           > 18 38 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D1E998D420, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001D1E9992290, 16 bytes long.
 Data: <&#240;7 &#233;&#209;           > F0 37 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D1E998DCC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001D1E9992240, 16 bytes long.
 Data: <87 &#233;&#209;           > 38 37 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D1E99922E0, 16 bytes long.
 Data: < 7 &#233;&#209;           > 10 37 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D1E9992970, 16 bytes long.
 Data: <&#232;6 &#233;&#209;           > E8 36 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D1E9992420, 16 bytes long.
 Data: <&#192;6 &#233;&#209;           > C0 36 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D1E9992DD0, 16 bytes long.
 Data: < 6 &#233;&#209;           > 98 36 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D1E9992B50, 16 bytes long.
 Data: <p6 &#233;&#209;           > 70 36 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D1E9993190, 16 bytes long.
 Data: <&#192;&#182; &#233;&#209;           > C0 B6 98 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D1E998B6C0, 40 bytes long.
 Data: < 1 &#233;&#209;   p ?&#235;&#209;   > 90 31 99 E9 D1 01 00 00 70 11 3F EB D1 01 00 00 
{257} normal block at 0x000001D1E9993000, 16 bytes long.
 Data: <P6 &#233;&#209;           > 50 36 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D1E99926F0, 16 bytes long.
 Data: <(6 &#233;&#209;           > 28 36 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D1E998D600, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001D1E9992560, 16 bytes long.
 Data: < 6 &#233;&#209;           > 00 36 99 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001D1E9993600, 992 bytes long.
 Data: <`% &#233;&#209;    &#214; &#233;&#209;   > 60 25 99 E9 D1 01 00 00 00 D6 98 E9 D1 01 00 00 
{89} normal block at 0x000001D1E998D0C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001D1E9986B50, 16 bytes long.
 Data: <&#224;&#181; &#233;&#209;           > E0 B5 98 E9 D1 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001D1E998B5E0, 40 bytes long.
 Data: <Pk &#233;&#209;   &#192;&#208; &#233;&#209;   > 50 6B 98 E9 D1 01 00 00 C0 D0 98 E9 D1 01 00 00 
{66} normal block at 0x000001D1E9986920, 16 bytes long.
 Data: < &#234; &#214;&#246;           > 80 EA 9D D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D1E99870A0, 16 bytes long.
 Data: <@&#233; &#214;&#246;           > 40 E9 9D D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D1E99872D0, 16 bytes long.
 Data: <&#248;W&#154;&#214;&#246;           > F8 57 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D1E99873C0, 16 bytes long.
 Data: <&#216;W&#154;&#214;&#246;           > D8 57 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D1E9986D30, 16 bytes long.
 Data: <P &#154;&#214;&#246;           > 50 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D1E9987280, 16 bytes long.
 Data: <0 &#154;&#214;&#246;           > 30 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D1E9986C90, 16 bytes long.
 Data: <&#224; &#154;&#214;&#246;           > E0 02 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D1E9986B00, 16 bytes long.
 Data: <  &#154;&#214;&#246;           > 10 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D1E9987460, 16 bytes long.
 Data: <p &#154;&#214;&#246;           > 70 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D1E9986F10, 16 bytes long.
 Data: < &#192; &#214;&#246;           > 18 C0 98 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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