Task 38649299

Name test_954-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND1931_0
Workunit 31593957
Created 23 Oct 2026, 21:06:11 UTC
Sent 24 Oct 2026, 4:17:50 UTC
Report deadline 29 Oct 2026, 4:17:50 UTC
Received 24 Oct 2026, 5:31:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593343
Run time 59 min 20 sec
CPU time 56 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,906.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.08 MB
Peak swap size 5.24 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:32:17 (14936): wrapper (7.9.26016): starting
13:32:17 (14936): 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
13:32:18 (14936): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:32:18 (14936): 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 'E:\ProgramData\BOINC\slots\0\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 'E:\ProgramData\BOINC\slots\0\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
14:29:31 (14936): C:/Windows/system32/cmd.exe exited; CPU time 3394.484375
14:29:31 (14936): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 72804335 bytes.
Dumping objects ->
{3835621} normal block at 0x000002266DEA1480, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835610} normal block at 0x000002266DEA1170, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835599} normal block at 0x000002266DEA1330, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835588} normal block at 0x000002266DEA0840, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835577} normal block at 0x000002266DEA08B0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835546} normal block at 0x000002266E3CB060, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000002266E403370, 135 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) : {3835532} normal block at 0x000002266C39CB70, 8 bytes long.
 Data: <  sl&   > 00 00 73 6C 26 02 00 00 
{3834786} normal block at 0x000002266E403AC0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834053} normal block at 0x000002266C39C350, 8 bytes long.
 Data: <&#208;J@n&   > D0 4A 40 6E 26 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002266C3A34C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002266C39A540, 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 0x000002266C3AE560, 16 bytes long.
 Data: <&#168; :l&           > A8 F2 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002266C3AE470, 16 bytes long.
 Data: <  :l&           > 80 F2 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002266C3A8C20, 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 0x000002266C3AE600, 16 bytes long.
 Data: <X :l&           > 58 F2 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002266C3AE420, 16 bytes long.
 Data: <0 :l&           > 30 F2 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002266C3AE9C0, 16 bytes long.
 Data: <  :l&           > 08 F2 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002266C3AE380, 16 bytes long.
 Data: <  :l&           > E0 F1 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002266C3AA310, 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 0x000002266C3AE290, 16 bytes long.
 Data: <H&#179;9l&           > 48 B3 39 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002266C3A8DA0, 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 0x000002266C3AEA60, 16 bytes long.
 Data: < &#179;9l&           > 20 B3 39 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002266C3AE5B0, 16 bytes long.
 Data: < &#178;9l&           > F8 B2 39 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002266C3AE1F0, 16 bytes long.
 Data: <&#208;&#178;9l&           > D0 B2 39 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002266C3AE010, 16 bytes long.
 Data: <&#168;&#178;9l&           > A8 B2 39 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002266C3AE100, 16 bytes long.
 Data: < &#178;9l&           > 80 B2 39 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002266C3AE790, 16 bytes long.
 Data: <X&#178;9l&           > 58 B2 39 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002266C3A8BC0, 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 0x000002266C3AECE0, 16 bytes long.
 Data: <0&#178;9l&           > 30 B2 39 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002266C39B230, 320 bytes long.
 Data: <  :l&   &#192; :l&   > E0 EC 3A 6C 26 02 00 00 C0 8B 3A 6C 26 02 00 00 
{275} normal block at 0x000002266C3ADFC0, 16 bytes long.
 Data: <&#192; :l&           > C0 F1 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002266C3AE330, 16 bytes long.
 Data: <  :l&           > 98 F1 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002266C3A8B60, 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 0x000002266C3AE920, 16 bytes long.
 Data: <p :l&           > 70 F1 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002266C3A8D40, 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 0x000002266C3AEEC0, 16 bytes long.
 Data: <&#184; :l&           > B8 F0 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002266C3AE740, 16 bytes long.
 Data: <  :l&           > 90 F0 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002266C3AE970, 16 bytes long.
 Data: <h :l&           > 68 F0 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002266C3AE2E0, 16 bytes long.
 Data: <@ :l&           > 40 F0 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002266C3AE4C0, 16 bytes long.
 Data: <  :l&           > 18 F0 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002266C3AEC40, 16 bytes long.
 Data: <  :l&           > F0 EF 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002266C3AEF10, 16 bytes long.
 Data: < &#166;:l&           > 20 A6 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002266C3AA620, 40 bytes long.
 Data: <  :l&   `&#176;<n&   > 10 EF 3A 6C 26 02 00 00 60 B0 3C 6E 26 02 00 00 
{261} normal block at 0x000002266C3AEE20, 16 bytes long.
 Data: <&#208; :l&           > D0 EF 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002266C3AEA10, 16 bytes long.
 Data: <&#168; :l&           > A8 EF 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002266C3A8980, 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 0x000002266C3AEDD0, 16 bytes long.
 Data: <  :l&           > 80 EF 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002266C3AEF80, 992 bytes long.
 Data: <&#208; :l&     :l&   > D0 ED 3A 6C 26 02 00 00 80 89 3A 6C 26 02 00 00 
{93} normal block at 0x000002266C3A8AA0, 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 0x000002266C39CAD0, 16 bytes long.
 Data: <@&#165;:l&           > 40 A5 3A 6C 26 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002266C3AA540, 40 bytes long.
 Data: <&#208;&#202;9l&     :l&   > D0 CA 39 6C 26 02 00 00 A0 8A 3A 6C 26 02 00 00 
{68} normal block at 0x000002266C39C440, 16 bytes long.
 Data: <  &#201;*            > 80 EA C9 2A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002266C39C6C0, 16 bytes long.
 Data: <@ &#201;*            > 40 E9 C9 2A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002266C39D070, 16 bytes long.
 Data: < W&#198;*            > F8 57 C6 2A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002266C39C260, 16 bytes long.
 Data: <&#216;W&#198;*            > D8 57 C6 2A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002266C39C7B0, 16 bytes long.
 Data: <P &#198;*            > 50 04 C6 2A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002266C39C530, 16 bytes long.
 Data: <0 &#198;*            > 30 04 C6 2A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002266C39C3F0, 16 bytes long.
 Data: <  &#198;*            > E0 02 C6 2A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002266C39D020, 16 bytes long.
 Data: <  &#198;*            > 10 04 C6 2A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002266C39CC60, 16 bytes long.
 Data: <p &#198;*            > 70 04 C6 2A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002266C39CE90, 16 bytes long.
 Data: < &#192;&#196;*            > 18 C0 C4 2A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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