Task 38698969

Name test_710-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND1983_0
Workunit 31639426
Created 3 Nov 2026, 8:56:33 UTC
Sent 3 Nov 2026, 8:56:34 UTC
Report deadline 8 Nov 2026, 8:56:34 UTC
Received 3 Nov 2026, 9:44:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654422
Run time 46 min 51 sec
CPU time 46 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,946.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.09 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:58:07 (9160): wrapper (7.9.26016): starting
09:58:07 (9160): 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
09:58:08 (9160): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:58:08 (9160): 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\20\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\20\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
10:44:01 (9160): C:/Windows/system32/cmd.exe exited; CPU time 2763.125000
10:44:01 (9160): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 47539325 bytes.
Dumping objects ->
{3835184} normal block at 0x000002707956EEC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x000002707956F550, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835162} normal block at 0x000002707956EBB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835151} normal block at 0x000002707956ED70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x00000270778F6CC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835109} normal block at 0x00000270795B6910, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835096} normal block at 0x00000270778F1D00, 8 bytes long.
 Data: <  &#135;wp   > 00 00 87 77 70 02 00 00 
{3833957} normal block at 0x00000270778F1620, 8 bytes long.
 Data: <pZayp   > 70 5A 61 79 70 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000270778F26D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000270778E7B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000270778F7920, 16 bytes long.
 Data: <&#216;r wp           > D8 72 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000270778F7FB0, 16 bytes long.
 Data: <&#176;r wp           > B0 72 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000270778F1090, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000270778F7AB0, 16 bytes long.
 Data: < r wp           > 88 72 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000270778F7C40, 16 bytes long.
 Data: <`r wp           > 60 72 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000270778F7BF0, 16 bytes long.
 Data: <8r wp           > 38 72 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000270778F80F0, 16 bytes long.
 Data: < r wp           > 10 72 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000270778F6B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000270778F7510, 16 bytes long.
 Data: <&#232;&#180; wp           > E8 B4 8D 77 70 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000270778F1030, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000270778F7470, 16 bytes long.
 Data: <&#192;&#180; wp           > C0 B4 8D 77 70 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000270778F7A60, 16 bytes long.
 Data: < &#180; wp           > 98 B4 8D 77 70 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000270778F8230, 16 bytes long.
 Data: <p&#180; wp           > 70 B4 8D 77 70 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000270778F74C0, 16 bytes long.
 Data: <H&#180; wp           > 48 B4 8D 77 70 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000270778F7560, 16 bytes long.
 Data: < &#180; wp           > 20 B4 8D 77 70 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000270778F8190, 16 bytes long.
 Data: <&#248;&#179; wp           > F8 B3 8D 77 70 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000270778F0D90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000270778F7880, 16 bytes long.
 Data: <&#208;&#179; wp           > D0 B3 8D 77 70 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000270778DB3D0, 320 bytes long.
 Data: < x wp      wp   > 80 78 8F 77 70 02 00 00 90 0D 8F 77 70 02 00 00 
{274} normal block at 0x00000270778F7740, 16 bytes long.
 Data: <&#240;q wp           > F0 71 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000270778F7BA0, 16 bytes long.
 Data: <&#200;q wp           > C8 71 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000270778F0EB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000270778F7F10, 16 bytes long.
 Data: <&#160;q wp           > A0 71 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000270778F0B50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000270778F7600, 16 bytes long.
 Data: <&#232;p wp           > E8 70 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000270778F7B50, 16 bytes long.
 Data: <&#192;p wp           > C0 70 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000270778F7EC0, 16 bytes long.
 Data: < p wp           > 98 70 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000270778F7C90, 16 bytes long.
 Data: <pp wp           > 70 70 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000270778F8280, 16 bytes long.
 Data: <Hp wp           > 48 70 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000270778F1CB0, 16 bytes long.
 Data: < p wp           > 20 70 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000270778F1C60, 16 bytes long.
 Data: <&#208;h wp           > D0 68 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000270778F68D0, 40 bytes long.
 Data: <`  wp    i[yp   > 60 1C 8F 77 70 02 00 00 10 69 5B 79 70 02 00 00 
{260} normal block at 0x00000270778F2390, 16 bytes long.
 Data: < p wp           > 00 70 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000270778F22F0, 16 bytes long.
 Data: <&#216;o wp           > D8 6F 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000270778F08B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000270778F1AD0, 16 bytes long.
 Data: <&#176;o wp           > B0 6F 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000270778F6FB0, 992 bytes long.
 Data: <&#208;  wp   &#176;  wp   > D0 1A 8F 77 70 02 00 00 B0 08 8F 77 70 02 00 00 
{92} normal block at 0x00000270778F0670, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000270778F1440, 16 bytes long.
 Data: <&#240;n wp           > F0 6E 8F 77 70 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000270778F6EF0, 40 bytes long.
 Data: <@  wp   p  wp   > 40 14 8F 77 70 02 00 00 70 06 8F 77 70 02 00 00 
{69} normal block at 0x00000270778F1A30, 16 bytes long.
 Data: < &#234;&#199;&#210;&#247;           > 80 EA C7 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000270778F1490, 16 bytes long.
 Data: <@&#233;&#199;&#210;&#247;           > 40 E9 C7 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000270778F1850, 16 bytes long.
 Data: <&#248;W&#196;&#210;&#247;           > F8 57 C4 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000270778F18F0, 16 bytes long.
 Data: <&#216;W&#196;&#210;&#247;           > D8 57 C4 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000270778F1EE0, 16 bytes long.
 Data: <P &#196;&#210;&#247;           > 50 04 C4 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000270778F1940, 16 bytes long.
 Data: <0 &#196;&#210;&#247;           > 30 04 C4 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000270778F1FD0, 16 bytes long.
 Data: <&#224; &#196;&#210;&#247;           > E0 02 C4 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000270778F19E0, 16 bytes long.
 Data: <  &#196;&#210;&#247;           > 10 04 C4 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000270778F2070, 16 bytes long.
 Data: <p &#196;&#210;&#247;           > 70 04 C4 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000270778F2200, 16 bytes long.
 Data: < &#192;&#194;&#210;&#247;           > 18 C0 C2 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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