Task 38695091

Name test_118-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4911_0
Workunit 31635810
Created 31 Oct 2026, 6:19:09 UTC
Sent 31 Oct 2026, 6:19:14 UTC
Report deadline 5 Nov 2026, 6:19:14 UTC
Received 31 Oct 2026, 7:00:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640529
Run time 40 min 31 sec
CPU time 36 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.28 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:20:45 (6748): wrapper (7.9.26016): starting
23:20:45 (6748): 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
23:20:47 (6748): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:20:47 (6748): 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\6\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\6\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: Exiting with failure status due to previous errors
23:59:55 (6748): C:/Windows/system32/cmd.exe exited; CPU time 2211.765625
23:59:55 (6748): 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: 28185815 bytes.
Dumping objects ->
{3835192} normal block at 0x0000021AF7DC49C0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835181} normal block at 0x0000021AF9A15FC0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835170} normal block at 0x0000021AF9A15660, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835159} normal block at 0x0000021AF9A16140, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835148} normal block at 0x0000021AF9A15240, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835117} normal block at 0x0000021AF7DC4E20, 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) : {3835104} normal block at 0x0000021AF7DBD510, 8 bytes long.
 Data: <  &#215;&#247;    > 00 00 D7 F7 1A 02 00 00 
{3833949} normal block at 0x0000021AF7DBD470, 8 bytes long.
 Data: < &#156;&#222;&#247;    > 20 9C DE F7 1A 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000021AF7DC0B60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021AF7DB5E50, 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 0x0000021AF7DC5330, 16 bytes long.
 Data: <&#248;b&#220;&#247;            > F8 62 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021AF7DC5EC0, 16 bytes long.
 Data: <&#208;b&#220;&#247;            > D0 62 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021AF7DBF5B0, 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 0x0000021AF7DC57E0, 16 bytes long.
 Data: <&#168;b&#220;&#247;            > A8 62 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021AF7DC5BA0, 16 bytes long.
 Data: < b&#220;&#247;            > 80 62 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021AF7DC59C0, 16 bytes long.
 Data: <Xb&#220;&#247;            > 58 62 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021AF7DC5D80, 16 bytes long.
 Data: <0b&#220;&#247;            > 30 62 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021AF7DC4950, 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 0x0000021AF7DC5F10, 16 bytes long.
 Data: < &#231;&#219;&#247;            > 88 E7 DB F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021AF7DBE950, 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 0x0000021AF7DC5B50, 16 bytes long.
 Data: <`&#231;&#219;&#247;            > 60 E7 DB F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021AF7DC50B0, 16 bytes long.
 Data: <8&#231;&#219;&#247;            > 38 E7 DB F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021AF7DC5650, 16 bytes long.
 Data: < &#231;&#219;&#247;            > 10 E7 DB F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021AF7DC5010, 16 bytes long.
 Data: <&#232;&#230;&#219;&#247;            > E8 E6 DB F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021AF7DC5510, 16 bytes long.
 Data: <&#192;&#230;&#219;&#247;            > C0 E6 DB F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021AF7DC54C0, 16 bytes long.
 Data: < &#230;&#219;&#247;            > 98 E6 DB F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021AF7DBEE30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000021AF7DC5290, 16 bytes long.
 Data: <p&#230;&#219;&#247;            > 70 E6 DB F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021AF7DBE670, 320 bytes long.
 Data: < R&#220;&#247;    0&#238;&#219;&#247;    > 90 52 DC F7 1A 02 00 00 30 EE DB F7 1A 02 00 00 
{270} normal block at 0x0000021AF7DC5100, 16 bytes long.
 Data: < b&#220;&#247;            > 10 62 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021AF7DC5AB0, 16 bytes long.
 Data: <&#232;a&#220;&#247;            > E8 61 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021AF7DBEA70, 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 0x0000021AF7DC56F0, 16 bytes long.
 Data: <&#192;a&#220;&#247;            > C0 61 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021AF7DBED10, 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 0x0000021AF7DC5740, 16 bytes long.
 Data: < a&#220;&#247;            > 08 61 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021AF7DC5380, 16 bytes long.
 Data: <&#224;`&#220;&#247;            > E0 60 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021AF7DC56A0, 16 bytes long.
 Data: <&#184;`&#220;&#247;            > B8 60 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021AF7DC5420, 16 bytes long.
 Data: < `&#220;&#247;            > 90 60 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021AF7DC5240, 16 bytes long.
 Data: <h`&#220;&#247;            > 68 60 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021AF7DC5470, 16 bytes long.
 Data: <@`&#220;&#247;            > 40 60 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021AF7DC5560, 16 bytes long.
 Data: <&#208;L&#220;&#247;            > D0 4C DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021AF7DC4CD0, 40 bytes long.
 Data: <`U&#220;&#247;     N&#220;&#247;    > 60 55 DC F7 1A 02 00 00 20 4E DC F7 1A 02 00 00 
{256} normal block at 0x0000021AF7DC5E20, 16 bytes long.
 Data: < `&#220;&#247;            > 20 60 DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021AF7DC5970, 16 bytes long.
 Data: <&#248;_&#220;&#247;            > F8 5F DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021AF7DBF790, 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 0x0000021AF7DC5DD0, 16 bytes long.
 Data: <&#208;_&#220;&#247;            > D0 5F DC F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021AF7DC5FD0, 992 bytes long.
 Data: <&#208;]&#220;&#247;     &#247;&#219;&#247;    > D0 5D DC F7 1A 02 00 00 90 F7 DB F7 1A 02 00 00 
{88} normal block at 0x0000021AF7DBE890, 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 0x0000021AF7DBD4C0, 16 bytes long.
 Data: <&#208;&#240;&#218;&#247;            > D0 F0 DA F7 1A 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000021AF7DAF0D0, 40 bytes long.
 Data: <&#192;&#212;&#219;&#247;     &#232;&#219;&#247;    > C0 D4 DB F7 1A 02 00 00 90 E8 DB F7 1A 02 00 00 
{65} normal block at 0x0000021AF7DBD330, 16 bytes long.
 Data: < &#234;Z&#207;&#247;           > 80 EA 5A CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021AF7DBD150, 16 bytes long.
 Data: <@&#233;Z&#207;&#247;           > 40 E9 5A CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021AF7DBDAB0, 16 bytes long.
 Data: <&#248;WW&#207;&#247;           > F8 57 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021AF7DBD240, 16 bytes long.
 Data: <&#216;WW&#207;&#247;           > D8 57 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021AF7DBDC90, 16 bytes long.
 Data: <P W&#207;&#247;           > 50 04 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021AF7DBD100, 16 bytes long.
 Data: <0 W&#207;&#247;           > 30 04 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021AF7DBDC40, 16 bytes long.
 Data: <&#224; W&#207;&#247;           > E0 02 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021AF7DBCED0, 16 bytes long.
 Data: <  W&#207;&#247;           > 10 04 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021AF7DBDBF0, 16 bytes long.
 Data: <p W&#207;&#247;           > 70 04 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021AF7DBDBA0, 16 bytes long.
 Data: < &#192;U&#207;&#247;           > 18 C0 55 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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