Task 38680352

Name test_874-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1327_0
Workunit 31622075
Created 26 Oct 2026, 23:40:08 UTC
Sent 26 Oct 2026, 23:40:10 UTC
Report deadline 31 Oct 2026, 23:40:10 UTC
Received 27 Oct 2026, 2:13:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629400
Run time 1 hours 4 min 50 sec
CPU time 1 hours 2 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.94 MB
Peak swap size 2.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:09:06 (14016): wrapper (7.9.26016): starting
02:09:06 (14016): 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
02:09:08 (14016): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:09:08 (14016): 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 'E:\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 'E:\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
03:12:18 (14016): C:/Windows/system32/cmd.exe exited; CPU time 3721.437500
03:12:18 (14016): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 48019050 bytes.
Dumping objects ->
{3835460} normal block at 0x000001C57AD761B0, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835449} normal block at 0x000001C57CE65FB0, 32 bytes long.
 Data: <HOME=E:\Boinc\sl> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835438} normal block at 0x000001C57CE66190, 32 bytes long.
 Data: <TMP=E:\Boinc\slo> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835427} normal block at 0x000001C57CE66310, 32 bytes long.
 Data: <TEMP=E:\Boinc\sl> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835416} normal block at 0x000001C57CE65D10, 32 bytes long.
 Data: <TMPDIR=E:\Boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 5C 
{3835385} normal block at 0x000001C57AD75EA0, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835374} normal block at 0x000001C57AFB4A30, 85 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) : {3835371} normal block at 0x000001C57AD46ED0, 8 bytes long.
 Data: <  &#231;z&#197;   > 00 00 E7 7A C5 01 00 00 
{3834651} normal block at 0x000001C57AFB4490, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001C57AD478D0, 8 bytes long.
 Data: < W&#251;z&#197;   > 90 57 FB 7A C5 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001C57AD508A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C57AD38CD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001C57AD51CF0, 16 bytes long.
 Data: < 1&#213;z&#197;           > 08 31 D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C57AD52420, 16 bytes long.
 Data: <&#224;0&#213;z&#197;           > E0 30 D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C57AD4C320, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001C57AD52240, 16 bytes long.
 Data: <&#184;0&#213;z&#197;           > B8 30 D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C57AD51C00, 16 bytes long.
 Data: < 0&#213;z&#197;           > 90 30 D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C57AD52880, 16 bytes long.
 Data: <h0&#213;z&#197;           > 68 30 D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C57AD51BB0, 16 bytes long.
 Data: <@0&#213;z&#197;           > 40 30 D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C57AD4D820, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001C57AD51FC0, 16 bytes long.
 Data: <H&#192;&#211;z&#197;           > 48 C0 D3 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C57AD4C620, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001C57AD52790, 16 bytes long.
 Data: < &#192;&#211;z&#197;           > 20 C0 D3 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C57AD524C0, 16 bytes long.
 Data: <&#248;&#191;&#211;z&#197;           > F8 BF D3 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C57AD52970, 16 bytes long.
 Data: <&#208;&#191;&#211;z&#197;           > D0 BF D3 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C57AD51B10, 16 bytes long.
 Data: <&#168;&#191;&#211;z&#197;           > A8 BF D3 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C57AD527E0, 16 bytes long.
 Data: < &#191;&#211;z&#197;           > 80 BF D3 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C57AD52830, 16 bytes long.
 Data: <X&#191;&#211;z&#197;           > 58 BF D3 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C57AD4BF60, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x000001C57AD52060, 16 bytes long.
 Data: <0&#191;&#211;z&#197;           > 30 BF D3 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C57AD3BF30, 320 bytes long.
 Data: <` &#213;z&#197;   `&#191;&#212;z&#197;   > 60 20 D5 7A C5 01 00 00 60 BF D4 7A C5 01 00 00 
{270} normal block at 0x000001C57AD523D0, 16 bytes long.
 Data: < 0&#213;z&#197;           > 20 30 D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C57AD52740, 16 bytes long.
 Data: <&#248;/&#213;z&#197;           > F8 2F D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C57AD4BA80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001C57AD51D90, 16 bytes long.
 Data: <&#208;/&#213;z&#197;           > D0 2F D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C57AD4C2C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001C57AD51B60, 16 bytes long.
 Data: < /&#213;z&#197;           > 18 2F D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C57AD528D0, 16 bytes long.
 Data: <&#240;.&#213;z&#197;           > F0 2E D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C57AD526F0, 16 bytes long.
 Data: <&#200;.&#213;z&#197;           > C8 2E D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C57AD52100, 16 bytes long.
 Data: <&#160;.&#213;z&#197;           > A0 2E D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C57AD52600, 16 bytes long.
 Data: <x.&#213;z&#197;           > 78 2E D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C57AD51AC0, 16 bytes long.
 Data: <P.&#213;z&#197;           > 50 2E D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C57AD522E0, 16 bytes long.
 Data: <&#176;&#215;&#212;z&#197;           > B0 D7 D4 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C57AD4D7B0, 40 bytes long.
 Data: <&#224;"&#213;z&#197;   &#160;^&#215;z&#197;   > E0 22 D5 7A C5 01 00 00 A0 5E D7 7A C5 01 00 00 
{256} normal block at 0x000001C57AD51F70, 16 bytes long.
 Data: <0.&#213;z&#197;           > 30 2E D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C57AD52330, 16 bytes long.
 Data: < .&#213;z&#197;           > 08 2E D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C57AD4C200, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001C57AD52920, 16 bytes long.
 Data: <&#224;-&#213;z&#197;           > E0 2D D5 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001C57AD52DE0, 992 bytes long.
 Data: < )&#213;z&#197;    &#194;&#212;z&#197;   > 20 29 D5 7A C5 01 00 00 00 C2 D4 7A C5 01 00 00 
{88} normal block at 0x000001C57AD4C560, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001C57AD47420, 16 bytes long.
 Data: <&#208;&#214;&#212;z&#197;           > D0 D6 D4 7A C5 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001C57AD4D6D0, 40 bytes long.
 Data: < t&#212;z&#197;   `&#197;&#212;z&#197;   > 20 74 D4 7A C5 01 00 00 60 C5 D4 7A C5 01 00 00 
{65} normal block at 0x000001C57AD47380, 16 bytes long.
 Data: < &#234;m&#241;&#247;           > 80 EA 6D F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C57AD46E80, 16 bytes long.
 Data: <@&#233;m&#241;&#247;           > 40 E9 6D F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C57AD46BB0, 16 bytes long.
 Data: <&#248;Wj&#241;&#247;           > F8 57 6A F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C57AD474C0, 16 bytes long.
 Data: <&#216;Wj&#241;&#247;           > D8 57 6A F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C57AD46F20, 16 bytes long.
 Data: <P j&#241;&#247;           > 50 04 6A F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C57AD46E30, 16 bytes long.
 Data: <0 j&#241;&#247;           > 30 04 6A F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C57AD47880, 16 bytes long.
 Data: <&#224; j&#241;&#247;           > E0 02 6A F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C57AD47330, 16 bytes long.
 Data: <  j&#241;&#247;           > 10 04 6A F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C57AD47470, 16 bytes long.
 Data: <p j&#241;&#247;           > 70 04 6A F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001C57AD47740, 16 bytes long.
 Data: < &#192;h&#241;&#247;           > 18 C0 68 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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