Task 38680208

Name test_840-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND8755_0
Workunit 31621940
Created 26 Oct 2026, 23:10:30 UTC
Sent 26 Oct 2026, 23:10:38 UTC
Report deadline 31 Oct 2026, 23:10:38 UTC
Received 27 Oct 2026, 12:14:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651945
Run time 45 min 10 sec
CPU time 37 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.53 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:29:21 (11096): wrapper (7.9.26016): starting
07:29:21 (11096): 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
07:29:24 (11096): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:29:24 (11096): 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\16\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\16\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
08:12:15 (11096): C:/Windows/system32/cmd.exe exited; CPU time 2267.765625
08:12:15 (11096): 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: 45120689 bytes.
Dumping objects ->
{3835262} normal block at 0x000001CA6FE24B00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x000001CA6FE24860, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001CA6FE24CC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x000001CA6DF94C00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001CA6DF94B90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x000001CA6FDC47C0, 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) : {3835174} normal block at 0x000001CA6DF8F0E0, 8 bytes long.
 Data: <  Jn&#202;   > 00 00 4A 6E CA 01 00 00 
{3833959} normal block at 0x000001CA6DF8F6D0, 8 bytes long.
 Data: < A&#249;m&#202;   > 80 41 F9 6D CA 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001CA6DF912E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CA6DF86610, 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 0x000001CA6DF960A0, 16 bytes long.
 Data: <&#168;U&#249;m&#202;           > A8 55 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CA6DF962D0, 16 bytes long.
 Data: < U&#249;m&#202;           > 80 55 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CA6DF8F8B0, 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 0x000001CA6DF96230, 16 bytes long.
 Data: <XU&#249;m&#202;           > 58 55 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CA6DF95B00, 16 bytes long.
 Data: <0U&#249;m&#202;           > 30 55 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CA6DF964B0, 16 bytes long.
 Data: < U&#249;m&#202;           > 08 55 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CA6DF96000, 16 bytes long.
 Data: <&#224;T&#249;m&#202;           > E0 54 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CA6DF946C0, 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 0x000001CA6DF957E0, 16 bytes long.
 Data: <&#232;&#181;&#247;m&#202;           > E8 B5 F7 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CA6DF8FCD0, 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 0x000001CA6DF95970, 16 bytes long.
 Data: <&#192;&#181;&#247;m&#202;           > C0 B5 F7 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CA6DF965F0, 16 bytes long.
 Data: < &#181;&#247;m&#202;           > 98 B5 F7 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CA6DF95BF0, 16 bytes long.
 Data: <p&#181;&#247;m&#202;           > 70 B5 F7 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CA6DF96280, 16 bytes long.
 Data: <H&#181;&#247;m&#202;           > 48 B5 F7 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CA6DF95AB0, 16 bytes long.
 Data: < &#181;&#247;m&#202;           > 20 B5 F7 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CA6DF95A60, 16 bytes long.
 Data: <&#248;&#180;&#247;m&#202;           > F8 B4 F7 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CA6DF90150, 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 0x000001CA6DF963C0, 16 bytes long.
 Data: <&#208;&#180;&#247;m&#202;           > D0 B4 F7 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CA6DF7B4D0, 320 bytes long.
 Data: <&#192;c&#249;m&#202;   P &#249;m&#202;   > C0 63 F9 6D CA 01 00 00 50 01 F9 6D CA 01 00 00 
{275} normal block at 0x000001CA6DF96320, 16 bytes long.
 Data: <&#192;T&#249;m&#202;           > C0 54 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CA6DF95920, 16 bytes long.
 Data: < T&#249;m&#202;           > 98 54 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CA6DF90390, 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 0x000001CA6DF96460, 16 bytes long.
 Data: <pT&#249;m&#202;           > 70 54 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CA6DF8FA30, 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 0x000001CA6DF95C40, 16 bytes long.
 Data: <&#184;S&#249;m&#202;           > B8 53 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CA6DF95BA0, 16 bytes long.
 Data: < S&#249;m&#202;           > 90 53 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CA6DF95790, 16 bytes long.
 Data: <hS&#249;m&#202;           > 68 53 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CA6DF95740, 16 bytes long.
 Data: <@S&#249;m&#202;           > 40 53 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CA6DF956F0, 16 bytes long.
 Data: < S&#249;m&#202;           > 18 53 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CA6DF8F680, 16 bytes long.
 Data: <&#240;R&#249;m&#202;           > F0 52 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CA6DF8ED70, 16 bytes long.
 Data: <&#160;G&#249;m&#202;           > A0 47 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CA6DF947A0, 40 bytes long.
 Data: <p&#237;&#248;m&#202;   &#192;G&#220;o&#202;   > 70 ED F8 6D CA 01 00 00 C0 47 DC 6F CA 01 00 00 
{261} normal block at 0x000001CA6DF8F5E0, 16 bytes long.
 Data: <&#208;R&#249;m&#202;           > D0 52 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CA6DF8F130, 16 bytes long.
 Data: <&#168;R&#249;m&#202;           > A8 52 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CA6DF900F0, 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 0x000001CA6DF8F630, 16 bytes long.
 Data: < R&#249;m&#202;           > 80 52 F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CA6DF95280, 992 bytes long.
 Data: <0&#246;&#248;m&#202;   &#240; &#249;m&#202;   > 30 F6 F8 6D CA 01 00 00 F0 00 F9 6D CA 01 00 00 
{93} normal block at 0x000001CA6DF8F7F0, 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 0x000001CA6DF8F400, 16 bytes long.
 Data: <pL&#249;m&#202;           > 70 4C F9 6D CA 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001CA6DF94C70, 40 bytes long.
 Data: < &#244;&#248;m&#202;   &#240;&#247;&#248;m&#202;   > 00 F4 F8 6D CA 01 00 00 F0 F7 F8 6D CA 01 00 00 
{70} normal block at 0x000001CA6DF8ECD0, 16 bytes long.
 Data: < &#234; &#180;&#247;           > 80 EA 13 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CA6DF8EFA0, 16 bytes long.
 Data: <@&#233; &#180;&#247;           > 40 E9 13 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CA6DF8EF00, 16 bytes long.
 Data: <&#248;W &#180;&#247;           > F8 57 10 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CA6DF8EF50, 16 bytes long.
 Data: <&#216;W &#180;&#247;           > D8 57 10 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CA6DF8EC80, 16 bytes long.
 Data: <P  &#180;&#247;           > 50 04 10 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CA6DF8EC30, 16 bytes long.
 Data: <0  &#180;&#247;           > 30 04 10 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CA6DF8F310, 16 bytes long.
 Data: <&#224;  &#180;&#247;           > E0 02 10 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CA6DF8F2C0, 16 bytes long.
 Data: <   &#180;&#247;           > 10 04 10 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CA6DF8F270, 16 bytes long.
 Data: <p  &#180;&#247;           > 70 04 10 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CA6DF8E9B0, 16 bytes long.
 Data: < &#192; &#180;&#247;           > 18 C0 0E B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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