Task 38698809

Name test_470-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND4702_0
Workunit 31639290
Created 3 Nov 2026, 3:28:35 UTC
Sent 3 Nov 2026, 3:28:36 UTC
Report deadline 8 Nov 2026, 3:28:36 UTC
Received 3 Nov 2026, 4:23:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609605
Run time 53 min 19 sec
CPU time 52 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,682.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.94 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:29:58 (26284): wrapper (7.9.26016): starting
21:29:58 (26284): 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
21:29:59 (26284): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:29:59 (26284): 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\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:\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
22:23:15 (26284): C:/Windows/system32/cmd.exe exited; CPU time 3131.015625
22:23:15 (26284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 67179423 bytes.
Dumping objects ->
{3835562} normal block at 0x000001F3B18D5170, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835551} normal block at 0x000001F3B36D78C0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835540} normal block at 0x000001F3B36D7AA0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835529} normal block at 0x000001F3B36D7B00, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x000001F3B36D7800, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835487} normal block at 0x000001F3B18D55D0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835474} normal block at 0x000001F3B18CDAA0, 8 bytes long.
 Data: <  &#219;&#177;&#243;   > 00 00 DB B1 F3 01 00 00 
{3833963} normal block at 0x000001F3B18CE680, 8 bytes long.
 Data: <&#176;K &#177;&#243;   > B0 4B 8D B1 F3 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F3B18D2520, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F3B18C7350, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001F3B18D6BC0, 16 bytes long.
 Data: <8q &#177;&#243;           > 38 71 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F3B18D6350, 16 bytes long.
 Data: < q &#177;&#243;           > 10 71 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F3B18CF990, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001F3B18D6A80, 16 bytes long.
 Data: <&#232;p &#177;&#243;           > E8 70 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F3B18D6DA0, 16 bytes long.
 Data: <&#192;p &#177;&#243;           > C0 70 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F3B18D6A30, 16 bytes long.
 Data: < p &#177;&#243;           > 98 70 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F3B18D6530, 16 bytes long.
 Data: <pp &#177;&#243;           > 70 70 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F3B18D5330, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001F3B18D68F0, 16 bytes long.
 Data: <&#232;&#248;&#139;&#177;&#243;           > E8 F8 8B B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F3B18D06B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001F3B18D6710, 16 bytes long.
 Data: <&#192;&#248;&#139;&#177;&#243;           > C0 F8 8B B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F3B18D6030, 16 bytes long.
 Data: < &#248;&#139;&#177;&#243;           > 98 F8 8B B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F3B18D6210, 16 bytes long.
 Data: <p&#248;&#139;&#177;&#243;           > 70 F8 8B B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F3B18D6990, 16 bytes long.
 Data: <H&#248;&#139;&#177;&#243;           > 48 F8 8B B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F3B18D5E50, 16 bytes long.
 Data: < &#248;&#139;&#177;&#243;           > 20 F8 8B B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F3B18D64E0, 16 bytes long.
 Data: <&#248;&#247;&#139;&#177;&#243;           > F8 F7 8B B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F3B18D0050, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001F3B18D6800, 16 bytes long.
 Data: <&#208;&#247;&#139;&#177;&#243;           > D0 F7 8B B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F3B18BF7D0, 320 bytes long.
 Data: < h &#177;&#243;   P  &#177;&#243;   > 00 68 8D B1 F3 01 00 00 50 00 8D B1 F3 01 00 00 
{277} normal block at 0x000001F3B18D6B70, 16 bytes long.
 Data: <Pp &#177;&#243;           > 50 70 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F3B18D5F90, 16 bytes long.
 Data: <(p &#177;&#243;           > 28 70 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F3B18D05F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001F3B18D6440, 16 bytes long.
 Data: < p &#177;&#243;           > 00 70 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F3B18D0890, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001F3B18D62B0, 16 bytes long.
 Data: <Ho &#177;&#243;           > 48 6F 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F3B18D6120, 16 bytes long.
 Data: < o &#177;&#243;           > 20 6F 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F3B18D69E0, 16 bytes long.
 Data: <&#248;n &#177;&#243;           > F8 6E 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F3B18D61C0, 16 bytes long.
 Data: <&#208;n &#177;&#243;           > D0 6E 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F3B18D6490, 16 bytes long.
 Data: <&#168;n &#177;&#243;           > A8 6E 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F3B18D6C10, 16 bytes long.
 Data: < n &#177;&#243;           > 80 6E 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F3B18D6940, 16 bytes long.
 Data: < T &#177;&#243;           > 10 54 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F3B18D5410, 40 bytes long.
 Data: <@i &#177;&#243;   &#208;U &#177;&#243;   > 40 69 8D B1 F3 01 00 00 D0 55 8D B1 F3 01 00 00 
{263} normal block at 0x000001F3B18D5FE0, 16 bytes long.
 Data: <`n &#177;&#243;           > 60 6E 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F3B18D6260, 16 bytes long.
 Data: <8n &#177;&#243;           > 38 6E 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F3B18CFF90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001F3B18D6170, 16 bytes long.
 Data: < n &#177;&#243;           > 10 6E 8D B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F3B18D6E10, 992 bytes long.
 Data: <pa &#177;&#243;    &#255;&#140;&#177;&#243;   > 70 61 8D B1 F3 01 00 00 90 FF 8C B1 F3 01 00 00 
{95} normal block at 0x000001F3B18D0110, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001F3B18CDE10, 16 bytes long.
 Data: <&#208;&#245;&#140;&#177;&#243;           > D0 F5 8C B1 F3 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001F3B18CF5D0, 40 bytes long.
 Data: < &#222;&#140;&#177;&#243;      &#177;&#243;   > 10 DE 8C B1 F3 01 00 00 10 01 8D B1 F3 01 00 00 
{72} normal block at 0x000001F3B18CD910, 16 bytes long.
 Data: < &#234;n&#222;&#246;           > 80 EA 6E DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F3B18CDB90, 16 bytes long.
 Data: <@&#233;n&#222;&#246;           > 40 E9 6E DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F3B18CE270, 16 bytes long.
 Data: <&#248;Wk&#222;&#246;           > F8 57 6B DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F3B18CE630, 16 bytes long.
 Data: <&#216;Wk&#222;&#246;           > D8 57 6B DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F3B18CE860, 16 bytes long.
 Data: <P k&#222;&#246;           > 50 04 6B DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F3B18CE810, 16 bytes long.
 Data: <0 k&#222;&#246;           > 30 04 6B DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F3B18CDC30, 16 bytes long.
 Data: <&#224; k&#222;&#246;           > E0 02 6B DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F3B18CE540, 16 bytes long.
 Data: <  k&#222;&#246;           > 10 04 6B DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F3B18CE5E0, 16 bytes long.
 Data: <p k&#222;&#246;           > 70 04 6B DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F3B18CDA50, 16 bytes long.
 Data: < &#192;i&#222;&#246;           > 18 C0 69 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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