Task 38682288

Name test_784-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND7987_0
Workunit 31623911
Created 27 Oct 2026, 7:14:20 UTC
Sent 27 Oct 2026, 7:14:24 UTC
Report deadline 1 Nov 2026, 7:14:24 UTC
Received 27 Oct 2026, 7:34:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650591
Run time 19 min 3 sec
CPU time 17 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.22 MB
Peak swap size 12.96 GB
Peak disk usage 3.56 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:15:37 (12692): wrapper (7.9.26016): starting
08:15:37 (12692): 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
08:15:38 (12692): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:15:38 (12692): 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 'G:\BOINC\DATA\slots\16\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 'G:\BOINC\DATA\slots\16\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
08:33:48 (12692): C:/Windows/system32/cmd.exe exited; CPU time 1076.328125
08:33:48 (12692): 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: 16733805 bytes.
Dumping objects ->
{3835187} normal block at 0x000001B549355FB0, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835176} normal block at 0x000001B54B1D46D0, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835165} normal block at 0x000001B54B1D54B0, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835154} normal block at 0x000001B54B1D4B50, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835143} normal block at 0x000001B54B1D40D0, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835112} normal block at 0x000001B549356100, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
..\api\boinc_api.cpp(309) : {3835099} normal block at 0x000001B54934D190, 8 bytes long.
 Data: <   I&#181;   > 00 00 81 49 B5 01 00 00 
{3833951} normal block at 0x000001B54934D370, 8 bytes long.
 Data: <&#240;A!K&#181;   > F0 41 21 4B B5 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001B5493515F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B549345FA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001B549354F70, 16 bytes long.
 Data: <&#248;]5I&#181;           > F8 5D 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B549354F20, 16 bytes long.
 Data: <&#208;]5I&#181;           > D0 5D 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B54934F080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001B549355970, 16 bytes long.
 Data: <&#168;]5I&#181;           > A8 5D 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B549355010, 16 bytes long.
 Data: < ]5I&#181;           > 80 5D 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B5493552E0, 16 bytes long.
 Data: <X]5I&#181;           > 58 5D 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B5493557E0, 16 bytes long.
 Data: <0]5I&#181;           > 30 5D 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B549356410, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001B549355100, 16 bytes long.
 Data: <&#232;&#142;4I&#181;           > E8 8E 34 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B54934EBA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001B549355790, 16 bytes long.
 Data: <&#192;&#142;4I&#181;           > C0 8E 34 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B549354ED0, 16 bytes long.
 Data: < &#142;4I&#181;           > 98 8E 34 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B5493551A0, 16 bytes long.
 Data: <p&#142;4I&#181;           > 70 8E 34 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B5493556F0, 16 bytes long.
 Data: <H&#142;4I&#181;           > 48 8E 34 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B549355150, 16 bytes long.
 Data: < &#142;4I&#181;           > 20 8E 34 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B5493550B0, 16 bytes long.
 Data: <&#248;&#141;4I&#181;           > F8 8D 34 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B54934EF00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001B5493556A0, 16 bytes long.
 Data: <&#208;&#141;4I&#181;           > D0 8D 34 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B549348DD0, 320 bytes long.
 Data: <&#160;V5I&#181;    &#239;4I&#181;   > A0 56 35 49 B5 01 00 00 00 EF 34 49 B5 01 00 00 
{271} normal block at 0x000001B549354C00, 16 bytes long.
 Data: < ]5I&#181;           > 10 5D 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B549354E30, 16 bytes long.
 Data: <&#232;\5I&#181;           > E8 5C 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B54934F8C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001B549355740, 16 bytes long.
 Data: <&#192;\5I&#181;           > C0 5C 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B54934EF60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001B549354DE0, 16 bytes long.
 Data: < \5I&#181;           > 08 5C 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B549355290, 16 bytes long.
 Data: <&#224;[5I&#181;           > E0 5B 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B549354D90, 16 bytes long.
 Data: <&#184;[5I&#181;           > B8 5B 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B549354FC0, 16 bytes long.
 Data: < [5I&#181;           > 90 5B 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B549354E80, 16 bytes long.
 Data: <h[5I&#181;           > 68 5B 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B5493553D0, 16 bytes long.
 Data: <@[5I&#181;           > 40 5B 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B549354B60, 16 bytes long.
 Data: < &#215;3I&#181;           > 90 D7 33 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B54933D790, 40 bytes long.
 Data: <`K5I&#181;    a5I&#181;   > 60 4B 35 49 B5 01 00 00 00 61 35 49 B5 01 00 00 
{257} normal block at 0x000001B549354C50, 16 bytes long.
 Data: < [5I&#181;           > 20 5B 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B549355880, 16 bytes long.
 Data: <&#248;Z5I&#181;           > F8 5A 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B54934F740, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001B549355650, 16 bytes long.
 Data: <&#208;Z5I&#181;           > D0 5A 35 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B549355AD0, 992 bytes long.
 Data: <PV5I&#181;   @&#247;4I&#181;   > 50 56 35 49 B5 01 00 00 40 F7 34 49 B5 01 00 00 
{89} normal block at 0x000001B54934EEA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001B54934D6E0, 16 bytes long.
 Data: <0&#203;3I&#181;           > 30 CB 33 49 B5 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001B54933CB30, 40 bytes long.
 Data: <&#224;&#214;4I&#181;   &#160;&#238;4I&#181;   > E0 D6 34 49 B5 01 00 00 A0 EE 34 49 B5 01 00 00 
{66} normal block at 0x000001B54934DCD0, 16 bytes long.
 Data: < &#234;O &#246;           > 80 EA 4F 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B54934D690, 16 bytes long.
 Data: <@&#233;O &#246;           > 40 E9 4F 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B54934D320, 16 bytes long.
 Data: <&#248;WL &#246;           > F8 57 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B54934D7D0, 16 bytes long.
 Data: <&#216;WL &#246;           > D8 57 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B54934DFA0, 16 bytes long.
 Data: <P L &#246;           > 50 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B54934D640, 16 bytes long.
 Data: <0 L &#246;           > 30 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B54934DC80, 16 bytes long.
 Data: <&#224; L &#246;           > E0 02 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B54934DA50, 16 bytes long.
 Data: <  L &#246;           > 10 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B54934D280, 16 bytes long.
 Data: <p L &#246;           > 70 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B54934D2D0, 16 bytes long.
 Data: < &#192;J &#246;           > 18 C0 4A 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra