Task 38679706

Name test_711-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2206_0
Workunit 31621470
Created 26 Oct 2026, 21:28:09 UTC
Sent 26 Oct 2026, 21:28:15 UTC
Report deadline 31 Oct 2026, 21:28:15 UTC
Received 26 Oct 2026, 22:35:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654838
Run time 15 min 26 sec
CPU time 14 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.31 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:20:26 (41848): wrapper (7.9.26016): starting
18:20:26 (41848): 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
18:20:27 (41848): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:20:27 (41848): 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
18:35:14 (41848): C:/Windows/system32/cmd.exe exited; CPU time 880.109375
18:35:14 (41848): 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: 21269031 bytes.
Dumping objects ->
{3835501} normal block at 0x00000215334C2980, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x00000215334C2830, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x00000215334C26E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835468} normal block at 0x00000215334C2520, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x00000215334C28A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835426} normal block at 0x000002153516A510, 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) : {3835413} normal block at 0x00000215334BC5C0, 8 bytes long.
 Data: <  G3    > 00 00 47 33 15 02 00 00 
{3833939} normal block at 0x00000215334BD0B0, 8 bytes long.
 Data: <&#208; $5    > D0 20 24 35 15 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x00000215334BDFD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000215334B5A80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x00000215334C3030, 16 bytes long.
 Data: <H.L3            > 48 2E 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000215334C3E90, 16 bytes long.
 Data: < .L3            > 20 2E 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000215334C1770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x00000215334C3CB0, 16 bytes long.
 Data: <&#248;-L3            > F8 2D 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000215334C38F0, 16 bytes long.
 Data: <&#208;-L3            > D0 2D 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000215334C3300, 16 bytes long.
 Data: <&#168;-L3            > A8 2D 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000215334C3C60, 16 bytes long.
 Data: < -L3            > 80 2D 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000215334C23D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x00000215334C2FE0, 16 bytes long.
 Data: <&#184;&#230;J3            > B8 E6 4A 33 15 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000215334C1530, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x00000215334C3C10, 16 bytes long.
 Data: < &#230;J3            > 90 E6 4A 33 15 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000215334C33F0, 16 bytes long.
 Data: <h&#230;J3            > 68 E6 4A 33 15 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000215334C3BC0, 16 bytes long.
 Data: <@&#230;J3            > 40 E6 4A 33 15 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000215334C3E40, 16 bytes long.
 Data: < &#230;J3            > 18 E6 4A 33 15 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000215334C35D0, 16 bytes long.
 Data: <&#240;&#229;J3            > F0 E5 4A 33 15 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000215334C3580, 16 bytes long.
 Data: <&#200;&#229;J3            > C8 E5 4A 33 15 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000215334C1FB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x00000215334C3AD0, 16 bytes long.
 Data: <&#160;&#229;J3            > A0 E5 4A 33 15 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000215334AE5A0, 320 bytes long.
 Data: <&#208;:L3    &#176; L3    > D0 3A 4C 33 15 02 00 00 B0 1F 4C 33 15 02 00 00 
{265} normal block at 0x00000215334C3620, 16 bytes long.
 Data: <`-L3            > 60 2D 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000215334C3A80, 16 bytes long.
 Data: <8-L3            > 38 2D 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000215334C1B90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x00000215334C34E0, 16 bytes long.
 Data: < -L3            > 10 2D 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000215334C1D10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x00000215334C3490, 16 bytes long.
 Data: <X,L3            > 58 2C 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000215334C39E0, 16 bytes long.
 Data: <0,L3            > 30 2C 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000215334C3A30, 16 bytes long.
 Data: < ,L3            > 08 2C 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000215334C3850, 16 bytes long.
 Data: <&#224;+L3            > E0 2B 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000215334BC7A0, 16 bytes long.
 Data: <&#184;+L3            > B8 2B 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000215334BC6B0, 16 bytes long.
 Data: < +L3            > 90 2B 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000215334BD290, 16 bytes long.
 Data: <&#240;)L3            > F0 29 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000215334C29F0, 40 bytes long.
 Data: < &#210;K3     &#165; 5    > 90 D2 4B 33 15 02 00 00 10 A5 16 35 15 02 00 00 
{251} normal block at 0x00000215334BD240, 16 bytes long.
 Data: <p+L3            > 70 2B 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000215334BD060, 16 bytes long.
 Data: <H+L3            > 48 2B 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000215334C1C50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x00000215334BCDE0, 16 bytes long.
 Data: < +L3            > 20 2B 4C 33 15 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x00000215334C2B20, 992 bytes long.
 Data: <&#224;&#205;K3    P L3    > E0 CD 4B 33 15 02 00 00 50 1C 4C 33 15 02 00 00 
{83} normal block at 0x00000215334C18F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x00000215334BCD90, 16 bytes long.
 Data: <&#224;&#195;J3            > E0 C3 4A 33 15 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000215334AC3E0, 40 bytes long.
 Data: < &#205;K3    &#240; L3    > 90 CD 4B 33 15 02 00 00 F0 18 4C 33 15 02 00 00 
{60} normal block at 0x00000215334BC930, 16 bytes long.
 Data: < &#234;^S&#247;           > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000215334BC340, 16 bytes long.
 Data: <@&#233;^S&#247;           > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000215334BCF20, 16 bytes long.
 Data: <&#248;W[S&#247;           > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000215334BC890, 16 bytes long.
 Data: <&#216;W[S&#247;           > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000215334BCB10, 16 bytes long.
 Data: <P [S&#247;           > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000215334BCED0, 16 bytes long.
 Data: <0 [S&#247;           > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000215334BCE30, 16 bytes long.
 Data: <&#224; [S&#247;           > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000215334BC3E0, 16 bytes long.
 Data: <  [S&#247;           > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000215334BC7F0, 16 bytes long.
 Data: <p [S&#247;           > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x00000215334BCFC0, 16 bytes long.
 Data: < &#192;YS&#247;           > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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