Task 38666276

Name test_474-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8718_1
Workunit 31609204
Created 25 Oct 2026, 2:35:37 UTC
Sent 25 Oct 2026, 2:47:59 UTC
Report deadline 30 Oct 2026, 2:47:59 UTC
Received 25 Oct 2026, 6:30:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583658
Run time 55 min 11 sec
CPU time 52 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,419.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.30 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
01:36:35 (61384): wrapper (7.9.26016): starting
01:36:35 (61384): 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
01:36:37 (61384): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:36:37 (61384): 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\1\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\1\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
02:30:04 (61384): C:/Windows/system32/cmd.exe exited; CPU time 3176.578125
02:30:04 (61384): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 72521473 bytes.
Dumping objects ->
{3835315} normal block at 0x000002327D6714F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835304} normal block at 0x000002327D671020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835293} normal block at 0x000002327D6713A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835282} normal block at 0x000002327D670D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000002327D671170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835240} normal block at 0x000002327D76BEC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002327D7CDA50, 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) : {3835226} normal block at 0x000002327BCB66D0, 8 bytes long.
 Data: <  &#201;{2   > 00 00 C9 7B 32 02 00 00 
{3834574} normal block at 0x000002327D7CDE70, 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 0x000002327BCB6F90, 8 bytes long.
 Data: <&#160;g }2   > A0 67 80 7D 32 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002327BCC11B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002327BCC20F0, 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 0x000002327BCC2AB0, 16 bytes long.
 Data: < :&#204;{2           > 88 3A CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002327BCC28D0, 16 bytes long.
 Data: <`:&#204;{2           > 60 3A CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002327BCBD8A0, 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 0x000002327BCC2BA0, 16 bytes long.
 Data: <8:&#204;{2           > 38 3A CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002327BCC30F0, 16 bytes long.
 Data: < :&#204;{2           > 10 3A CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002327BCC2D80, 16 bytes long.
 Data: <&#232;9&#204;{2           > E8 39 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002327BCC27E0, 16 bytes long.
 Data: <&#192;9&#204;{2           > C0 39 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002327BCBB650, 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 0x000002327BCC25B0, 16 bytes long.
 Data: <  &#204;{2           > 88 20 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002327BCBD0C0, 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 0x000002327BCC2560, 16 bytes long.
 Data: <` &#204;{2           > 60 20 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002327BCC2A60, 16 bytes long.
 Data: <8 &#204;{2           > 38 20 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002327BCC2C40, 16 bytes long.
 Data: <  &#204;{2           > 10 20 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002327BCC2420, 16 bytes long.
 Data: <&#232; &#204;{2           > E8 1F CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002327BCC24C0, 16 bytes long.
 Data: <&#192; &#204;{2           > C0 1F CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002327BCC23D0, 16 bytes long.
 Data: <  &#204;{2           > 98 1F CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002327BCBD180, 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 0x000002327BCC2970, 16 bytes long.
 Data: <p &#204;{2           > 70 1F CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002327BCC1F70, 320 bytes long.
 Data: <p)&#204;{2    &#209;&#203;{2   > 70 29 CC 7B 32 02 00 00 80 D1 CB 7B 32 02 00 00 
{271} normal block at 0x000002327BCC2F60, 16 bytes long.
 Data: <&#160;9&#204;{2           > A0 39 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002327BCC29C0, 16 bytes long.
 Data: <x9&#204;{2           > 78 39 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002327BCBD540, 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 0x000002327BCC30A0, 16 bytes long.
 Data: <P9&#204;{2           > 50 39 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002327BCBD900, 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 0x000002327BCC2880, 16 bytes long.
 Data: < 8&#204;{2           > 98 38 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002327BCC2380, 16 bytes long.
 Data: <p8&#204;{2           > 70 38 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002327BCC2DD0, 16 bytes long.
 Data: <H8&#204;{2           > 48 38 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002327BCC3050, 16 bytes long.
 Data: < 8&#204;{2           > 20 38 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002327BCC3000, 16 bytes long.
 Data: <&#248;7&#204;{2           > F8 37 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002327BCC2740, 16 bytes long.
 Data: <&#208;7&#204;{2           > D0 37 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002327BCC2830, 16 bytes long.
 Data: <&#240;&#184;&#203;{2           > F0 B8 CB 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002327BCBB8F0, 40 bytes long.
 Data: <0(&#204;{2   &#192;&#190;v}2   > 30 28 CC 7B 32 02 00 00 C0 BE 76 7D 32 02 00 00 
{257} normal block at 0x000002327BCC2330, 16 bytes long.
 Data: <&#176;7&#204;{2           > B0 37 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002327BCC26F0, 16 bytes long.
 Data: < 7&#204;{2           > 88 37 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002327BCBCC40, 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 0x000002327BCC2240, 16 bytes long.
 Data: <`7&#204;{2           > 60 37 CC 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002327BCC3760, 992 bytes long.
 Data: <@"&#204;{2   @&#204;&#203;{2   > 40 22 CC 7B 32 02 00 00 40 CC CB 7B 32 02 00 00 
{89} normal block at 0x000002327BCBCF40, 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 0x000002327BCB6F40, 16 bytes long.
 Data: < &#184;&#203;{2           > 80 B8 CB 7B 32 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002327BCBB880, 40 bytes long.
 Data: <@o&#203;{2   @&#207;&#203;{2   > 40 6F CB 7B 32 02 00 00 40 CF CB 7B 32 02 00 00 
{66} normal block at 0x000002327BCB6EA0, 16 bytes long.
 Data: < &#234;&#158;s&#246;           > 80 EA 9E 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002327BCB6810, 16 bytes long.
 Data: <@&#233;&#158;s&#246;           > 40 E9 9E 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002327BCB6E50, 16 bytes long.
 Data: <&#248;W&#155;s&#246;           > F8 57 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002327BCB6D60, 16 bytes long.
 Data: <&#216;W&#155;s&#246;           > D8 57 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002327BCB6680, 16 bytes long.
 Data: <P &#155;s&#246;           > 50 04 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002327BCB6D10, 16 bytes long.
 Data: <0 &#155;s&#246;           > 30 04 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002327BCB7210, 16 bytes long.
 Data: <&#224; &#155;s&#246;           > E0 02 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002327BCB6CC0, 16 bytes long.
 Data: <  &#155;s&#246;           > 10 04 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002327BCB7030, 16 bytes long.
 Data: <p &#155;s&#246;           > 70 04 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002327BCB71C0, 16 bytes long.
 Data: < &#192; s&#246;           > 18 C0 99 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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