Task 38698657

Name test_321-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND3331_0
Workunit 31639159
Created 2 Nov 2026, 21:29:23 UTC
Sent 2 Nov 2026, 21:29:26 UTC
Report deadline 7 Nov 2026, 21:29:26 UTC
Received 2 Nov 2026, 23:16:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637393
Run time 1 hours 46 min 8 sec
CPU time 1 hours 43 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,614.88 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.74 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
06:31:19 (37476): wrapper (7.9.26016): starting
06:31:19 (37476): 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
06:31:22 (37476): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:31:22 (37476): 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:\BOINC\data\slots\4\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:\BOINC\data\slots\4\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
08:16:01 (37476): C:/Windows/system32/cmd.exe exited; CPU time 6188.781250
08:16:01 (37476): called boinc_finish(0)
0 bytes in 0 Free Blocks.
446 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: 140049017 bytes.
Dumping objects ->
{3835632} normal block at 0x0000016449F30B50, 48 bytes long.
 Data: <PATH=D:\BOINC\da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835621} normal block at 0x000001644A076250, 32 bytes long.
 Data: <HOME=D:\BOINC\da> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835610} normal block at 0x000001644A077390, 32 bytes long.
 Data: <TMP=D:\BOINC\dat> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835599} normal block at 0x000001644A076CD0, 32 bytes long.
 Data: <TEMP=D:\BOINC\da> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835588} normal block at 0x000001644A077570, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835557} normal block at 0x0000016449F31250, 48 bytes long.
 Data: <PATH=D:\BOINC\da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835546} normal block at 0x0000016447EE43E0, 135 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) : {3835543} normal block at 0x0000016447E8FD60, 8 bytes long.
 Data: <  &#213;Gd   > 00 00 D5 47 64 01 00 00 
{3834797} normal block at 0x0000016447EE3130, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x0000016447E901C0, 8 bytes long.
 Data: <   Gd   > 90 E6 F6 47 64 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000016447E8B610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000016447E87770, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000016447E9B860, 16 bytes long.
 Data: < &#195; Gd           > 98 C3 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000016447E9B810, 16 bytes long.
 Data: <p&#195; Gd           > 70 C3 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000016447E95BC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000016447E9BE50, 16 bytes long.
 Data: <H&#195; Gd           > 48 C3 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016447E9B540, 16 bytes long.
 Data: < &#195; Gd           > 20 C3 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016447E9B9A0, 16 bytes long.
 Data: < &#194; Gd           > F8 C2 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016447E9BDB0, 16 bytes long.
 Data: <&#208;&#194; Gd           > D0 C2 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016447E972C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000016447E9B4A0, 16 bytes long.
 Data: < E Gd           > 18 45 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016447E95C20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000016447E9B6D0, 16 bytes long.
 Data: < D Gd           > F0 44 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016447E9B590, 16 bytes long.
 Data: <&#200;D Gd           > C8 44 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016447E9B400, 16 bytes long.
 Data: < D Gd           > A0 44 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016447E9BBD0, 16 bytes long.
 Data: <xD Gd           > 78 44 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016447E9BE00, 16 bytes long.
 Data: <PD Gd           > 50 44 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016447E9BD60, 16 bytes long.
 Data: <(D Gd           > 28 44 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016447E95080, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000016447E9B450, 16 bytes long.
 Data: < D Gd           > 00 44 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016447E94400, 320 bytes long.
 Data: <P&#180; Gd    P Gd   > 50 B4 E9 47 64 01 00 00 80 50 E9 47 64 01 00 00 
{279} normal block at 0x0000016447E9B7C0, 16 bytes long.
 Data: <&#176;&#194; Gd           > B0 C2 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016447E9B180, 16 bytes long.
 Data: < &#194; Gd           > 88 C2 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016447E956E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000016447E9B130, 16 bytes long.
 Data: <`&#194; Gd           > 60 C2 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016447E95320, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000016447E9B0E0, 16 bytes long.
 Data: <&#168;&#193; Gd           > A8 C1 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016447E9B090, 16 bytes long.
 Data: < &#193; Gd           > 80 C1 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016447E9B720, 16 bytes long.
 Data: <X&#193; Gd           > 58 C1 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016447E9B4F0, 16 bytes long.
 Data: <0&#193; Gd           > 30 C1 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016447E9B040, 16 bytes long.
 Data: < &#193; Gd           > 08 C1 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016447E9B950, 16 bytes long.
 Data: < &#192; Gd           > E0 C0 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016447E9B2C0, 16 bytes long.
 Data: < s Gd           > A0 73 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016447E973A0, 40 bytes long.
 Data: <&#192;&#178; Gd   P  Id   > C0 B2 E9 47 64 01 00 00 50 12 F3 49 64 01 00 00 
{265} normal block at 0x0000016447E9B3B0, 16 bytes long.
 Data: <&#192;&#192; Gd           > C0 C0 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016447E9BC70, 16 bytes long.
 Data: < &#192; Gd           > 98 C0 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016447E95260, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000016447E9AF00, 16 bytes long.
 Data: <p&#192; Gd           > 70 C0 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016447E9C070, 992 bytes long.
 Data: < &#175; Gd   `R Gd   > 00 AF E9 47 64 01 00 00 60 52 E9 47 64 01 00 00 
{97} normal block at 0x0000016447E95020, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000016447E90210, 16 bytes long.
 Data: <pq Gd           > 70 71 E9 47 64 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000016447E97170, 40 bytes long.
 Data: <   Gd    P Gd   > 10 02 E9 47 64 01 00 00 20 50 E9 47 64 01 00 00 
{72} normal block at 0x0000016447E90170, 16 bytes long.
 Data: <  c&#170;            > 80 EA 63 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000016447E8FB30, 16 bytes long.
 Data: <@ c&#170;            > 40 E9 63 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016447E8FC20, 16 bytes long.
 Data: < W`&#170;            > F8 57 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016447E8FA40, 16 bytes long.
 Data: <&#216;W`&#170;            > D8 57 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016447E90120, 16 bytes long.
 Data: <P `&#170;            > 50 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016447E8FEF0, 16 bytes long.
 Data: <0 `&#170;            > 30 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016447E8F8B0, 16 bytes long.
 Data: <  `&#170;            > E0 02 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016447E8F770, 16 bytes long.
 Data: <  `&#170;            > 10 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016447E90080, 16 bytes long.
 Data: <p `&#170;            > 70 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016447E8FBD0, 16 bytes long.
 Data: < &#192;^&#170;            > 18 C0 5E AA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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