Task 38681454

Name test_418-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND4514_0
Workunit 31623119
Created 27 Oct 2026, 4:02:40 UTC
Sent 27 Oct 2026, 4:02:49 UTC
Report deadline 1 Nov 2026, 4:02:49 UTC
Received 27 Oct 2026, 9:44:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639498
Run time 1 hours 39 min 25 sec
CPU time 1 hours 23 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,085.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.39 MB
Peak swap size 2.22 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:06:51 (8740): wrapper (7.9.26016): starting
02:06:51 (8740): 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
02:06:54 (8740): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:06:54 (8740): 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 'C:\ProgramData\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 'C:\ProgramData\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
03:44:00 (8740): C:/Windows/system32/cmd.exe exited; CPU time 5025.453125
03:44:00 (8740): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 64337587 bytes.
Dumping objects ->
{3835279} normal block at 0x0000021E102815D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835268} normal block at 0x0000021E10281410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x0000021E10280CA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835246} normal block at 0x0000021E10280C30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000021E10280B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835204} normal block at 0x0000021E1042B380, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000021E0E912BA0, 235 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) : {3835190} normal block at 0x0000021E0E906F50, 8 bytes long.
 Data: <  &#142;     > 00 00 8E 0E 1E 02 00 00 
{3834573} normal block at 0x0000021E0E9133F0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000021E0E906780, 8 bytes long.
 Data: < u&#151;     > 20 75 97 0E 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000021E0E910160, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021E0E9110A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000021E0E9111F0, 16 bytes long.
 Data: <H:&#145;             > 48 3A 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021E0E911920, 16 bytes long.
 Data: < :&#145;             > 20 3A 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021E0E90DC50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000021E0E911F10, 16 bytes long.
 Data: <&#248;9&#145;             > F8 39 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021E0E911EC0, 16 bytes long.
 Data: <&#208;9&#145;             > D0 39 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021E0E9115B0, 16 bytes long.
 Data: <&#168;9&#145;             > A8 39 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021E0E912050, 16 bytes long.
 Data: < 9&#145;             > 80 39 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021E0E90C920, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000021E0E911B50, 16 bytes long.
 Data: <8 &#145;             > 38 10 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021E0E90DAD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000021E0E911790, 16 bytes long.
 Data: <  &#145;             > 10 10 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021E0E911560, 16 bytes long.
 Data: <&#232; &#145;             > E8 0F 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021E0E911E70, 16 bytes long.
 Data: <&#192; &#145;             > C0 0F 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021E0E9116F0, 16 bytes long.
 Data: <  &#145;             > 98 0F 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021E0E911E20, 16 bytes long.
 Data: <p &#145;             > 70 0F 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021E0E911DD0, 16 bytes long.
 Data: <H &#145;             > 48 0F 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021E0E90DBF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000021E0E911510, 16 bytes long.
 Data: <  &#145;             > 20 0F 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021E0E910F20, 320 bytes long.
 Data: <  &#145;     &#240;&#219;      > 10 15 91 0E 1E 02 00 00 F0 DB 90 0E 1E 02 00 00 
{268} normal block at 0x0000021E0E911740, 16 bytes long.
 Data: <`9&#145;             > 60 39 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021E0E9116A0, 16 bytes long.
 Data: <89&#145;             > 38 39 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021E0E90D590, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000021E0E911650, 16 bytes long.
 Data: < 9&#145;             > 10 39 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021E0E90D950, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000021E0E911D80, 16 bytes long.
 Data: <X8&#145;             > 58 38 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021E0E9118D0, 16 bytes long.
 Data: <08&#145;             > 30 38 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021E0E912000, 16 bytes long.
 Data: < 8&#145;             > 08 38 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021E0E911D30, 16 bytes long.
 Data: <&#224;7&#145;             > E0 37 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021E0E911330, 16 bytes long.
 Data: <&#184;7&#145;             > B8 37 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021E0E9111A0, 16 bytes long.
 Data: < 7&#145;             > 90 37 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021E0E9113D0, 16 bytes long.
 Data: <p&#202;              > 70 CA 90 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021E0E90CA70, 40 bytes long.
 Data: <&#208; &#145;      &#179;B     > D0 13 91 0E 1E 02 00 00 80 B3 42 10 1E 02 00 00 
{254} normal block at 0x0000021E0E911470, 16 bytes long.
 Data: <p7&#145;             > 70 37 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021E0E9112E0, 16 bytes long.
 Data: <H7&#145;             > 48 37 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021E0E90D290, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000021E0E9120A0, 16 bytes long.
 Data: < 7&#145;             > 20 37 91 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000021E0E913720, 992 bytes long.
 Data: <&#160; &#145;      &#210;      > A0 20 91 0E 1E 02 00 00 90 D2 90 0E 1E 02 00 00 
{86} normal block at 0x0000021E0E90D890, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000021E0E906EB0, 16 bytes long.
 Data: < &#201;              > 90 C9 90 0E 1E 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000021E0E90C990, 40 bytes long.
 Data: <&#176;n       &#216;      > B0 6E 90 0E 1E 02 00 00 90 D8 90 0E 1E 02 00 00 
{63} normal block at 0x0000021E0E906E60, 16 bytes long.
 Data: < &#234;&#237;f&#247;           > 80 EA ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021E0E9066E0, 16 bytes long.
 Data: <@&#233;&#237;f&#247;           > 40 E9 ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021E0E906F00, 16 bytes long.
 Data: <&#248;W&#234;f&#247;           > F8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021E0E9065F0, 16 bytes long.
 Data: <&#216;W&#234;f&#247;           > D8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021E0E906730, 16 bytes long.
 Data: <P &#234;f&#247;           > 50 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021E0E906BE0, 16 bytes long.
 Data: <0 &#234;f&#247;           > 30 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021E0E9069B0, 16 bytes long.
 Data: <&#224; &#234;f&#247;           > E0 02 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021E0E9073B0, 16 bytes long.
 Data: <  &#234;f&#247;           > 10 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000021E0E906B90, 16 bytes long.
 Data: <p &#234;f&#247;           > 70 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000021E0E906AA0, 16 bytes long.
 Data: < &#192;&#232;f&#247;           > 18 C0 E8 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra