Task 38688552

Name test_625-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2581_0
Workunit 31629891
Created 28 Oct 2026, 14:44:18 UTC
Sent 28 Oct 2026, 14:44:22 UTC
Report deadline 2 Nov 2026, 14:44:22 UTC
Received 28 Oct 2026, 15:03:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 18 min 15 sec
CPU time 16 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.77 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:45:18 (31384): wrapper (7.9.26016): starting
15:45:18 (31384): 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
15:45:19 (31384): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:45:19 (31384): 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\9\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\9\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
16:02:53 (31384): C:/Windows/system32/cmd.exe exited; CPU time 979.593750
16:02:53 (31384): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 18980163 bytes.
Dumping objects ->
{3835223} normal block at 0x000001E7C2B43FC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001E7C2B43EE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001E7C2B44340, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x000001E7C2B442D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000001E7C2B441F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000001E7C494B4E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000001E7C49AC7D0, 102 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) : {3835134} normal block at 0x000001E7C2B3CB90, 8 bytes long.
 Data: <   &#195;&#231;   > 00 00 02 C3 E7 01 00 00 
{3834541} normal block at 0x000001E7C49AC1A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001E7C2B3D7C0, 8 bytes long.
 Data: <  &#159;&#196;&#231;   > 80 0E 9F C4 E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001E7C2B3F650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E7C2B2F670, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001E7C2B42F50, 16 bytes long.
 Data: <H<&#180;&#194;&#231;           > 48 3C B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E7C2B42EB0, 16 bytes long.
 Data: < <&#180;&#194;&#231;           > 20 3C B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E7C2B3D9A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001E7C2B42F00, 16 bytes long.
 Data: <&#248;;&#180;&#194;&#231;           > F8 3B B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E7C2B43540, 16 bytes long.
 Data: <&#208;;&#180;&#194;&#231;           > D0 3B B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E7C2B42C30, 16 bytes long.
 Data: <&#168;;&#180;&#194;&#231;           > A8 3B B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E7C2B42B90, 16 bytes long.
 Data: < ;&#180;&#194;&#231;           > 80 3B B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E7C2B44180, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001E7C2B42B40, 16 bytes long.
 Data: <&#200; &#179;&#194;&#231;           > C8 8F B3 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E7C2B3E780, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001E7C2B42DC0, 16 bytes long.
 Data: <&#160; &#179;&#194;&#231;           > A0 8F B3 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E7C2B42C80, 16 bytes long.
 Data: <x &#179;&#194;&#231;           > 78 8F B3 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E7C2B430E0, 16 bytes long.
 Data: <P &#179;&#194;&#231;           > 50 8F B3 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E7C2B43590, 16 bytes long.
 Data: <( &#179;&#194;&#231;           > 28 8F B3 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E7C2B438B0, 16 bytes long.
 Data: <  &#179;&#194;&#231;           > 00 8F B3 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E7C2B42AA0, 16 bytes long.
 Data: <&#216;&#142;&#179;&#194;&#231;           > D8 8E B3 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E7C2B3DCA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001E7C2B434F0, 16 bytes long.
 Data: <&#176;&#142;&#179;&#194;&#231;           > B0 8E B3 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E7C2B38EB0, 320 bytes long.
 Data: <&#240;4&#180;&#194;&#231;   &#160;&#220;&#179;&#194;&#231;   > F0 34 B4 C2 E7 01 00 00 A0 DC B3 C2 E7 01 00 00 
{275} normal block at 0x000001E7C2B42A00, 16 bytes long.
 Data: <`;&#180;&#194;&#231;           > 60 3B B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E7C2B434A0, 16 bytes long.
 Data: <8;&#180;&#194;&#231;           > 38 3B B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E7C2B3DE80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001E7C2B429B0, 16 bytes long.
 Data: < ;&#180;&#194;&#231;           > 10 3B B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E7C2B3E660, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001E7C2B43400, 16 bytes long.
 Data: <X:&#180;&#194;&#231;           > 58 3A B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E7C2B43090, 16 bytes long.
 Data: <0:&#180;&#194;&#231;           > 30 3A B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E7C2B42AF0, 16 bytes long.
 Data: < :&#180;&#194;&#231;           > 08 3A B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E7C2B43810, 16 bytes long.
 Data: <&#224;9&#180;&#194;&#231;           > E0 39 B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E7C2B42FF0, 16 bytes long.
 Data: <&#184;9&#180;&#194;&#231;           > B8 39 B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E7C2B43040, 16 bytes long.
 Data: < 9&#180;&#194;&#231;           > 90 39 B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E7C2B43720, 16 bytes long.
 Data: <&#240;&#227;&#178;&#194;&#231;           > F0 E3 B2 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E7C2B2E3F0, 40 bytes long.
 Data: < 7&#180;&#194;&#231;   &#224;&#180;&#148;&#196;&#231;   > 20 37 B4 C2 E7 01 00 00 E0 B4 94 C4 E7 01 00 00 
{261} normal block at 0x000001E7C2B433B0, 16 bytes long.
 Data: <p9&#180;&#194;&#231;           > 70 39 B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E7C2B42BE0, 16 bytes long.
 Data: <H9&#180;&#194;&#231;           > 48 39 B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E7C2B3DA60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001E7C2B42A50, 16 bytes long.
 Data: < 9&#180;&#194;&#231;           > 20 39 B4 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E7C2B43920, 992 bytes long.
 Data: <P*&#180;&#194;&#231;   `&#218;&#179;&#194;&#231;   > 50 2A B4 C2 E7 01 00 00 60 DA B3 C2 E7 01 00 00 
{93} normal block at 0x000001E7C2B3E720, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001E7C2B3D3B0, 16 bytes long.
 Data: <&#208;&#198;&#178;&#194;&#231;           > D0 C6 B2 C2 E7 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001E7C2B2C6D0, 40 bytes long.
 Data: <&#176;&#211;&#179;&#194;&#231;    &#231;&#179;&#194;&#231;   > B0 D3 B3 C2 E7 01 00 00 20 E7 B3 C2 E7 01 00 00 
{70} normal block at 0x000001E7C2B3D310, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E7C2B3C9B0, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E7C2B3D770, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E7C2B3CCD0, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E7C2B3CBE0, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E7C2B3D720, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E7C2B3CB40, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E7C2B3CC80, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E7C2B3CF50, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E7C2B3CEB0, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra