Task 38694720

Name test_52-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8299_0
Workunit 31635455
Created 31 Oct 2026, 1:32:45 UTC
Sent 31 Oct 2026, 1:32:49 UTC
Report deadline 5 Nov 2026, 1:32:49 UTC
Received 31 Oct 2026, 1:51:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647288
Run time 18 min 11 sec
CPU time 16 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 57,419.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.30 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:33:44 (252868): wrapper (7.9.26016): starting
02:33:44 (252868): 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
02:33:45 (252868): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:33:45 (252868): 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\24\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\24\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
02:51:07 (252868): C:/Windows/system32/cmd.exe exited; CPU time 988.359375
02:51:07 (252868): 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: 21805191 bytes.
Dumping objects ->
{3835706} normal block at 0x000001C6F8AABD10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835695} normal block at 0x000001C6F8AAB7D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835684} normal block at 0x000001C6F8AABED0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835673} normal block at 0x000001C6F8AABFB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835662} normal block at 0x000001C6F6DA4920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835631} normal block at 0x000001C6F8A96810, 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) : {3835618} normal block at 0x000001C6F6D9F110, 8 bytes long.
 Data: <  1&#247;&#198;   > 00 00 31 F7 C6 01 00 00 
{3833957} normal block at 0x000001C6F6D9F020, 8 bytes long.
 Data: <0&#169;&#170;&#248;&#198;   > 30 A9 AA F8 C6 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001C6F6DA1310, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C6F6D96400, 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 0x000001C6F6DA58D0, 16 bytes long.
 Data: < W&#218;&#246;&#198;           > 88 57 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C6F6DA67D0, 16 bytes long.
 Data: <`W&#218;&#246;&#198;           > 60 57 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C6F6D9F880, 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 0x000001C6F6DA6000, 16 bytes long.
 Data: <8W&#218;&#246;&#198;           > 38 57 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C6F6DA65F0, 16 bytes long.
 Data: < W&#218;&#246;&#198;           > 10 57 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C6F6DA6500, 16 bytes long.
 Data: <&#232;V&#218;&#246;&#198;           > E8 56 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C6F6DA62D0, 16 bytes long.
 Data: <&#192;V&#218;&#246;&#198;           > C0 56 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C6F6DA4990, 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 0x000001C6F6DA6230, 16 bytes long.
 Data: <&#216; &#217;&#246;&#198;           > D8 90 D9 F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C6F6DA0300, 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 0x000001C6F6DA5B00, 16 bytes long.
 Data: <&#176; &#217;&#246;&#198;           > B0 90 D9 F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C6F6DA5FB0, 16 bytes long.
 Data: <  &#217;&#246;&#198;           > 88 90 D9 F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C6F6DA63C0, 16 bytes long.
 Data: <` &#217;&#246;&#198;           > 60 90 D9 F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C6F6DA64B0, 16 bytes long.
 Data: <8 &#217;&#246;&#198;           > 38 90 D9 F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C6F6DA5A60, 16 bytes long.
 Data: <  &#217;&#246;&#198;           > 10 90 D9 F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C6F6DA6190, 16 bytes long.
 Data: <&#232; &#217;&#246;&#198;           > E8 8F D9 F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C6F6DA0540, 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 0x000001C6F6DA5AB0, 16 bytes long.
 Data: <&#192; &#217;&#246;&#198;           > C0 8F D9 F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C6F6D98FC0, 320 bytes long.
 Data: <&#176;Z&#218;&#246;&#198;   @ &#218;&#246;&#198;   > B0 5A DA F6 C6 01 00 00 40 05 DA F6 C6 01 00 00 
{274} normal block at 0x000001C6F6DA6820, 16 bytes long.
 Data: <&#160;V&#218;&#246;&#198;           > A0 56 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C6F6DA6280, 16 bytes long.
 Data: <xV&#218;&#246;&#198;           > 78 56 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C6F6D9FAC0, 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 0x000001C6F6DA6410, 16 bytes long.
 Data: <PV&#218;&#246;&#198;           > 50 56 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C6F6DA0000, 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 0x000001C6F6DA6320, 16 bytes long.
 Data: < U&#218;&#246;&#198;           > 98 55 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C6F6DA5A10, 16 bytes long.
 Data: <pU&#218;&#246;&#198;           > 70 55 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C6F6DA6460, 16 bytes long.
 Data: <HU&#218;&#246;&#198;           > 48 55 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C6F6DA5E20, 16 bytes long.
 Data: < U&#218;&#246;&#198;           > 20 55 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C6F6DA61E0, 16 bytes long.
 Data: <&#248;T&#218;&#246;&#198;           > F8 54 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C6F6D9F390, 16 bytes long.
 Data: <&#208;T&#218;&#246;&#198;           > D0 54 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C6F6D9EA30, 16 bytes long.
 Data: <pJ&#218;&#246;&#198;           > 70 4A DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C6F6DA4A70, 40 bytes long.
 Data: <0&#234;&#217;&#246;&#198;    h&#169;&#248;&#198;   > 30 EA D9 F6 C6 01 00 00 10 68 A9 F8 C6 01 00 00 
{260} normal block at 0x000001C6F6D9EA80, 16 bytes long.
 Data: <&#176;T&#218;&#246;&#198;           > B0 54 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C6F6D9F340, 16 bytes long.
 Data: < T&#218;&#246;&#198;           > 88 54 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C6F6DA0120, 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 0x000001C6F6D9E990, 16 bytes long.
 Data: <`T&#218;&#246;&#198;           > 60 54 DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C6F6DA5460, 992 bytes long.
 Data: < &#233;&#217;&#246;&#198;     &#218;&#246;&#198;   > 90 E9 D9 F6 C6 01 00 00 20 01 DA F6 C6 01 00 00 
{92} normal block at 0x000001C6F6DA0060, 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 0x000001C6F6D9EC60, 16 bytes long.
 Data: < M&#218;&#246;&#198;           > 80 4D DA F6 C6 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001C6F6DA4D80, 40 bytes long.
 Data: <`&#236;&#217;&#246;&#198;   ` &#218;&#246;&#198;   > 60 EC D9 F6 C6 01 00 00 60 00 DA F6 C6 01 00 00 
{69} normal block at 0x000001C6F6D9F0C0, 16 bytes long.
 Data: < &#234;&#167;p&#246;           > 80 EA A7 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C6F6D9EFD0, 16 bytes long.
 Data: <@&#233;&#167;p&#246;           > 40 E9 A7 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C6F6D9F430, 16 bytes long.
 Data: <&#248;W&#164;p&#246;           > F8 57 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C6F6D9F570, 16 bytes long.
 Data: <&#216;W&#164;p&#246;           > D8 57 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C6F6D9EF80, 16 bytes long.
 Data: <P &#164;p&#246;           > 50 04 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C6F6D9F070, 16 bytes long.
 Data: <0 &#164;p&#246;           > 30 04 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C6F6D9E800, 16 bytes long.
 Data: <&#224; &#164;p&#246;           > E0 02 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C6F6D9EBC0, 16 bytes long.
 Data: <  &#164;p&#246;           > 10 04 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C6F6D9EDF0, 16 bytes long.
 Data: <p &#164;p&#246;           > 70 04 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C6F6D9EC10, 16 bytes long.
 Data: < &#192;&#162;p&#246;           > 18 C0 A2 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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