Task 38677829

Name test_190-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6338_0
Workunit 31619684
Created 26 Oct 2026, 15:32:46 UTC
Sent 26 Oct 2026, 15:32:51 UTC
Report deadline 31 Oct 2026, 15:32:51 UTC
Received 26 Oct 2026, 17:44:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 33 min 1 sec
CPU time 32 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.63 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:11:39 (12884): wrapper (7.9.26016): starting
12:11:39 (12884): 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
12:11:40 (12884): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:11:40 (12884): 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\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 'C:\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
12:44:12 (12884): C:/Windows/system32/cmd.exe exited; CPU time 1950.312500
12:44:12 (12884): 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: 30088615 bytes.
Dumping objects ->
{3835546} normal block at 0x0000022DABBFC810, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x0000022DA9FC4950, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x0000022DA9FC4800, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x0000022DA9FC48E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000022DA9FC4790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x0000022DABC48CD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000022DABC5E5D0, 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) : {3835457} normal block at 0x0000022DA9FBE8E0, 8 bytes long.
 Data: <  &#244;&#169;-   > 00 00 F4 A9 2D 02 00 00 
{3834682} normal block at 0x0000022DABC5E1B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000022DA9FBF290, 8 bytes long.
 Data: < &#164;&#197;&#171;-   > 10 A4 C5 AB 2D 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000022DA9FC08B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022DA9FB5E80, 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 0x0000022DA9FC60D0, 16 bytes long.
 Data: <&#184;d&#252;&#169;-           > B8 64 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022DA9FC5900, 16 bytes long.
 Data: < d&#252;&#169;-           > 90 64 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022DA9FBFC60, 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 0x0000022DA9FC5E00, 16 bytes long.
 Data: <hd&#252;&#169;-           > 68 64 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022DA9FC5EA0, 16 bytes long.
 Data: <@d&#252;&#169;-           > 40 64 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022DA9FC6030, 16 bytes long.
 Data: < d&#252;&#169;-           > 18 64 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022DA9FC58B0, 16 bytes long.
 Data: <&#240;c&#252;&#169;-           > F0 63 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022DA9FC4640, 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 0x0000022DA9FC59A0, 16 bytes long.
 Data: <&#184;&#142;&#251;&#169;-           > B8 8E FB A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022DA9FBFA20, 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 0x0000022DA9FC5810, 16 bytes long.
 Data: < &#142;&#251;&#169;-           > 90 8E FB A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022DA9FC5CC0, 16 bytes long.
 Data: <h&#142;&#251;&#169;-           > 68 8E FB A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022DA9FC5950, 16 bytes long.
 Data: <@&#142;&#251;&#169;-           > 40 8E FB A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022DA9FC5DB0, 16 bytes long.
 Data: < &#142;&#251;&#169;-           > 18 8E FB A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022DA9FC5BD0, 16 bytes long.
 Data: <&#240; &#251;&#169;-           > F0 8D FB A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022DA9FC5630, 16 bytes long.
 Data: <&#200; &#251;&#169;-           > C8 8D FB A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022DA9FBF9C0, 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 0x0000022DA9FC5C70, 16 bytes long.
 Data: <&#160; &#251;&#169;-           > A0 8D FB A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022DA9FB8DA0, 320 bytes long.
 Data: <p\&#252;&#169;-   &#192;&#249;&#251;&#169;-   > 70 5C FC A9 2D 02 00 00 C0 F9 FB A9 2D 02 00 00 
{274} normal block at 0x0000022DA9FC5680, 16 bytes long.
 Data: <&#208;c&#252;&#169;-           > D0 63 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022DA9FC5FE0, 16 bytes long.
 Data: <&#168;c&#252;&#169;-           > A8 63 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022DA9FBF6C0, 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 0x0000022DA9FC57C0, 16 bytes long.
 Data: < c&#252;&#169;-           > 80 63 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022DA9FC0080, 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 0x0000022DA9FC6080, 16 bytes long.
 Data: <&#200;b&#252;&#169;-           > C8 62 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022DA9FC5E50, 16 bytes long.
 Data: <&#160;b&#252;&#169;-           > A0 62 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022DA9FC5540, 16 bytes long.
 Data: <xb&#252;&#169;-           > 78 62 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022DA9FC5860, 16 bytes long.
 Data: <Pb&#252;&#169;-           > 50 62 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022DA9FC5770, 16 bytes long.
 Data: <(b&#252;&#169;-           > 28 62 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022DA9FC5D10, 16 bytes long.
 Data: < b&#252;&#169;-           > 00 62 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022DA9FC5A90, 16 bytes long.
 Data: <pH&#252;&#169;-           > 70 48 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022DA9FC4870, 40 bytes long.
 Data: < Z&#252;&#169;-   &#208;&#140;&#196;&#171;-   > 90 5A FC A9 2D 02 00 00 D0 8C C4 AB 2D 02 00 00 
{260} normal block at 0x0000022DA9FC5F40, 16 bytes long.
 Data: <&#224;a&#252;&#169;-           > E0 61 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022DA9FC5D60, 16 bytes long.
 Data: <&#184;a&#252;&#169;-           > B8 61 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022DA9FBF960, 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 0x0000022DA9FC5F90, 16 bytes long.
 Data: < a&#252;&#169;-           > 90 61 FC A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022DA9FC6190, 992 bytes long.
 Data: < _&#252;&#169;-   `&#249;&#251;&#169;-   > 90 5F FC A9 2D 02 00 00 60 F9 FB A9 2D 02 00 00 
{92} normal block at 0x0000022DA9FBFC00, 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 0x0000022DA9FBEA70, 16 bytes long.
 Data: <&#160;&#227;&#250;&#169;-           > A0 E3 FA A9 2D 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000022DA9FAE3A0, 40 bytes long.
 Data: <p&#234;&#251;&#169;-    &#252;&#251;&#169;-   > 70 EA FB A9 2D 02 00 00 00 FC FB A9 2D 02 00 00 
{69} normal block at 0x0000022DA9FBF420, 16 bytes long.
 Data: < &#234;&#223;&#200;&#246;           > 80 EA DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022DA9FBEB60, 16 bytes long.
 Data: <@&#233;&#223;&#200;&#246;           > 40 E9 DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022DA9FBED90, 16 bytes long.
 Data: <&#248;W&#220;&#200;&#246;           > F8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022DA9FBE6B0, 16 bytes long.
 Data: <&#216;W&#220;&#200;&#246;           > D8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022DA9FBF060, 16 bytes long.
 Data: <P &#220;&#200;&#246;           > 50 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022DA9FBF0B0, 16 bytes long.
 Data: <0 &#220;&#200;&#246;           > 30 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022DA9FBF100, 16 bytes long.
 Data: <&#224; &#220;&#200;&#246;           > E0 02 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022DA9FBE750, 16 bytes long.
 Data: <  &#220;&#200;&#246;           > 10 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022DA9FBF1F0, 16 bytes long.
 Data: <p &#220;&#200;&#246;           > 70 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022DA9FBEAC0, 16 bytes long.
 Data: < &#192;&#218;&#200;&#246;           > 18 C0 DA C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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